5X4

~{N}-[7-methyl-1-[(3~{R})-1-propanoylazepan-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

Created:	2015-12-17
Last modified:	2024-09-27

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2 entries where 5X4 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	61
Chiral Atom Count	1
Bond Count	64
Aromatic Bond Count	16

2D diagram of 5X4

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Chemical Component Summary
Name	~{N}-[7-methyl-1-[(3~{R})-1-propanoylazepan-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
Systematic Name (OpenEye OEToolkits)	~{N}-[7-methyl-1-[(3~{R})-1-propanoylazepan-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
Formula	C₂₅ H₂₇ F₃ N₄ O₂
Molecular Weight	472.503
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCC(=O)N1CCCC[CH](C1)n2c(NC(=O)c3cccc(c3)C(F)(F)F)nc4cccc(C)c24
SMILES	OpenEye OEToolkits	2.0.4	CCC(=O)N1CCCCC(C1)n2c3c(cccc3nc2NC(=O)c4cccc(c4)C(F)(F)F)C
Canonical SMILES	CACTVS	3.385	CCC(=O)N1CCCC[C@H](C1)n2c(NC(=O)c3cccc(c3)C(F)(F)F)nc4cccc(C)c24
Canonical SMILES	OpenEye OEToolkits	2.0.4	CCC(=O)N1CCCC[C@H](C1)n2c3c(cccc3nc2NC(=O)c4cccc(c4)C(F)(F)F)C
InChI	InChI	1.03	InChI=1S/C25H27F3N4O2/c1-3-21(33)31-13-5-4-11-19(15-31)32-22-16(2)8-6-12-20(22)29-24(32)30-23(34)17-9-7-10-18(14-17)25(26,27)28/h6-10,12,14,19H,3-5,11,13,15H2,1-2H3,(H,29,30,34)/t19-/m1/s1
InChIKey	InChI	1.03	DFNLNAPTJYVZSV-LJQANCHMSA-N

Related Resource References

Resource Name	Reference
PubChem	137348410

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