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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1 entries where A1A31 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	1
Bond Count	22
Aromatic Bond Count	5

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
Formula	C₇ H₁₂ N₂ O
Molecular Weight	140.183
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	Cc1nccn1CC(O)C
SMILES	CACTVS	3.385	C[CH](O)Cn1ccnc1C
SMILES	OpenEye OEToolkits	3.1.0.0	Cc1nccn1CC(C)O
Canonical SMILES	CACTVS	3.385	C[C@@H](O)Cn1ccnc1C
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	Cc1nccn1C[C@@H](C)O
InChI	InChI	1.06	InChI=1S/C7H12N2O/c1-6(10)5-9-4-3-8-7(9)2/h3-4,6,10H,5H2,1-2H3/t6-/m1/s1
InChIKey	InChI	1.06	VUFBCWUJICCKDU-ZCFIWIBFSA-N

Related Resource References

Resource Name	Reference
PubChem	98111933

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