N-(1-hydroxybutan-2-yl)-3-methylimidazole-4-carboxamide

C9H15N3O2 — CID 103511286

IUPACN-(1-hydroxybutan-2-yl)-3-methylimidazole-4-carboxamide
SMILESCCC(CO)NC(=O)c1cncn1C
InChIInChI=1S/C9H15N3O2/c1-3-7(5-13)11-9(14)8-4-10-6-12(8)2/h4,6-7,13H,3,5H2,1-2H3,(H,11,14)
InChIKeyITXOBYBVUVUMSG-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.08
Rot. Bonds4

About N-(1-hydroxybutan-2-yl)-3-methylimidazole-4-carboxamide

N-(1-hydroxybutan-2-yl)-3-methylimidazole-4-carboxamide (PubChem CID 103511286) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-3-methylimidazole-4-carboxamide
PubChem CID103511286
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC NameN-(1-hydroxybutan-2-yl)-3-methylimidazole-4-carboxamide
SMILESCCC(CO)NC(=O)c1cncn1C
InChIInChI=1S/C9H15N3O2/c1-3-7(5-13)11-9(14)8-4-10-6-12(8)2/h4,6-7,13H,3,5H2,1-2H3,(H,11,14)
InChIKeyITXOBYBVUVUMSG-UHFFFAOYSA-N
XLogP-0.08
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxy-3-methoxypropan-2-yl)-3-methylimidazole-4-carboxamide
CID 106182939
N-[(2S)-1-hydroxybutan-2-yl]-3-phenylimidazole-4-carboxamide
CID 93033612
2-ethyl-N-[(2R)-1-hydroxybutan-2-yl]-5-methylpyrazole-3-carboxamide
CID 103919961
3-methyl-N-propylimidazole-4-carboxamide
CID 23552392
N-(3-ethyl-2-hydroxypentyl)-3-methylimidazole-4-carboxamide
CID 107261964
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-methylimidazole-4-carboxamide
CID 118775956
N-(1,1-dimethoxypropan-2-yl)-3-methylimidazole-4-carboxamide
CID 103511037
2-[(3-methylimidazol-4-yl)methylamino]butan-1-ol
CID 62998061
(2S)-2-[(3-methylimidazol-4-yl)methylamino]butan-1-ol
CID 104980400
(2S)-5-amino-2-[(3-methylimidazole-4-carbonyl)amino]-5-oxopentanoic acid
CID 103510485
N-(1-bromo-4,4-dimethylpentan-3-yl)-3-methylimidazole-4-carboxamide
CID 106356199
N-[(2R)-1-hydroxybutan-2-yl]-1,3-thiazole-5-carboxamide
CID 103920352

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-3-methylimidazole-4-carboxamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-3-methylimidazole-4-carboxamide (CID 103511286) is N-(1-hydroxybutan-2-yl)-3-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-3-methylimidazole-4-carboxamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-3-methylimidazole-4-carboxamide is CCC(CO)NC(=O)c1cncn1C.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-3-methylimidazole-4-carboxamide?
The InChIKey is ITXOBYBVUVUMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-7(5-13)11-9(14)8-4-10-6-12(8)2/h4,6-7,13H,3,5H2,1-2H3,(H,11,14).
What are the key properties of N-(1-hydroxybutan-2-yl)-3-methylimidazole-4-carboxamide?
N-(1-hydroxybutan-2-yl)-3-methylimidazole-4-carboxamide has a molecular weight of 197.24 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 103511286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).