EV4

4-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-cyclohexyl-N-methylbutanamide

Created:	2010-05-04
Last modified:	2011-06-04

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1 entries where EV4 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	49
Chiral Atom Count	0
Bond Count	51
Aromatic Bond Count	10

2D diagram of EV4

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Chemical Component Summary
Name	4-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-cyclohexyl-N-methylbutanamide
Systematic Name (OpenEye OEToolkits)	4-(2-azanyl-5-chloro-benzimidazol-1-yl)-N-cyclohexyl-N-methyl-butanamide
Formula	C₁₈ H₂₅ Cl N₄ O
Molecular Weight	348.87
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1cc2nc(N)n(c2cc1)CCCC(=O)N(C3CCCCC3)C
SMILES	CACTVS	3.370	CN(C1CCCCC1)C(=O)CCCn2c(N)nc3cc(Cl)ccc23
SMILES	OpenEye OEToolkits	1.7.0	CN(C1CCCCC1)C(=O)CCCn2c3ccc(cc3nc2N)Cl
Canonical SMILES	CACTVS	3.370	CN(C1CCCCC1)C(=O)CCCn2c(N)nc3cc(Cl)ccc23
Canonical SMILES	OpenEye OEToolkits	1.7.0	CN(C1CCCCC1)C(=O)CCCn2c3ccc(cc3nc2N)Cl
InChI	InChI	1.03	InChI=1S/C18H25ClN4O/c1-22(14-6-3-2-4-7-14)17(24)8-5-11-23-16-10-9-13(19)12-15(16)21-18(23)20/h9-10,12,14H,2-8,11H2,1H3,(H2,20,21)
InChIKey	InChI	1.03	UIWHCBCBZBYNDS-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	46238535
ChEMBL	CHEMBL1221977

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