A1A31

(2R)-1-(2-methyl-1H-imidazol-1-yl)propan-2-ol

Created:2024-08-29
Last modified:  2024-11-06

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Chemical Details

Formal Charge0
Atom Count22
Chiral Atom Count1
Bond Count22
Aromatic Bond Count5
2D diagram of A1A31

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Chemical Component Summary

Name(2R)-1-(2-methyl-1H-imidazol-1-yl)propan-2-ol
Systematic Name (OpenEye OEToolkits)(2~{R})-1-(2-methylimidazol-1-yl)propan-2-ol
FormulaC7 H12 N2 O
Molecular Weight140.183
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52Cc1nccn1CC(O)C
SMILESCACTVS3.385C[CH](O)Cn1ccnc1C
SMILESOpenEye OEToolkits3.1.0.0Cc1nccn1CC(C)O
Canonical SMILESCACTVS3.385 C[C@@H](O)Cn1ccnc1C
Canonical SMILESOpenEye OEToolkits3.1.0.0 Cc1nccn1C[C@@H](C)O
InChIInChI1.06 InChI=1S/C7H12N2O/c1-6(10)5-9-4-3-8-7(9)2/h3-4,6,10H,5H2,1-2H3/t6-/m1/s1
InChIKeyInChI1.06 VUFBCWUJICCKDU-ZCFIWIBFSA-N

Related Resource References

Resource NameReference
PubChem 98111933