N-[(2S)-1-hydroxybutan-2-yl]-3-phenylimidazole-4-carboxamide

C14H17N3O2 — CID 93033612

IUPACN-[(2S)-1-hydroxybutan-2-yl]-3-phenylimidazole-4-carboxamide
SMILESCC[C@@H](CO)NC(=O)c1cncn1-c1ccccc1
InChIInChI=1S/C14H17N3O2/c1-2-11(9-18)16-14(19)13-8-15-10-17(13)12-6-4-3-5-7-12/h3-8,10-11,18H,2,9H2,1H3,(H,16,19)/t11-/m0/s1
InChIKeyAUHJPFNUZFLODO-NSHDSACASA-N
MW259.31 g/mol
LogP1.37
Rot. Bonds5

About N-[(2S)-1-hydroxybutan-2-yl]-3-phenylimidazole-4-carboxamide

N-[(2S)-1-hydroxybutan-2-yl]-3-phenylimidazole-4-carboxamide (PubChem CID 93033612) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[(2S)-1-hydroxybutan-2-yl]-3-phenylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxybutan-2-yl]-3-phenylimidazole-4-carboxamide
PubChem CID93033612
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[(2S)-1-hydroxybutan-2-yl]-3-phenylimidazole-4-carboxamide
SMILESCC[C@@H](CO)NC(=O)c1cncn1-c1ccccc1
InChIInChI=1S/C14H17N3O2/c1-2-11(9-18)16-14(19)13-8-15-10-17(13)12-6-4-3-5-7-12/h3-8,10-11,18H,2,9H2,1H3,(H,16,19)/t11-/m0/s1
InChIKeyAUHJPFNUZFLODO-NSHDSACASA-N
XLogP1.37
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-hydroxy-2-[(3-phenylimidazole-4-carbonyl)amino]propanoic acid
CID 61153195
N-ethyl-3-phenylimidazole-4-carboxamide
CID 47109591
N-(1-hydroxybutan-2-yl)-3-methylimidazole-4-carboxamide
CID 103511286
3-phenyl-N-[(2R)-4-phenylbutan-2-yl]imidazole-4-carboxamide
CID 30969676
N-[(1S)-1-(4-fluorophenyl)ethyl]-3-phenylimidazole-4-carboxamide
CID 30969685
3-[3-(3,4-dimethoxyphenyl)phenyl]-N-pentan-3-ylimidazole-4-carboxamide
CID 46101308
N-(1-hydroxybutan-2-yl)-1-phenylpyrazole-3-carboxamide
CID 43428002
N-(3-amino-2-methylpropyl)-3-phenylimidazole-4-carboxamide
CID 119996977
N-(1-hydroxy-3-methylpentan-3-yl)-3-phenylimidazole-4-carboxamide
CID 106167148
3-[4-(3,5-dimethylphenyl)phenyl]-N-[(2S)-1-methoxybutan-2-yl]imidazole-4-carboxamide
CID 92767327
N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-phenylimidazole-4-carboxamide;ethane
CID 142316945
N-(4-hydroxybutyl)-3-phenylimidazole-4-carboxamide
CID 106843413

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-3-phenylimidazole-4-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-3-phenylimidazole-4-carboxamide (CID 93033612) is N-[(2S)-1-hydroxybutan-2-yl]-3-phenylimidazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxybutan-2-yl]-3-phenylimidazole-4-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxybutan-2-yl]-3-phenylimidazole-4-carboxamide is CC[C@@H](CO)NC(=O)c1cncn1-c1ccccc1.
What is the InChIKey of N-[(2S)-1-hydroxybutan-2-yl]-3-phenylimidazole-4-carboxamide?
The InChIKey is AUHJPFNUZFLODO-NSHDSACASA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-11(9-18)16-14(19)13-8-15-10-17(13)12-6-4-3-5-7-12/h3-8,10-11,18H,2,9H2,1H3,(H,16,19)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxybutan-2-yl]-3-phenylimidazole-4-carboxamide?
N-[(2S)-1-hydroxybutan-2-yl]-3-phenylimidazole-4-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxybutan-2-yl]-3-phenylimidazole-4-carboxamide is sourced from PubChem (CID 93033612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).