N-(1-hydroxy-3-methylpentan-3-yl)-3-phenylimidazole-4-carboxamide

C16H21N3O2 — CID 106167148

IUPACN-(1-hydroxy-3-methylpentan-3-yl)-3-phenylimidazole-4-carboxamide
SMILESCCC(C)(CCO)NC(=O)c1cncn1-c1ccccc1
InChIInChI=1S/C16H21N3O2/c1-3-16(2,9-10-20)18-15(21)14-11-17-12-19(14)13-7-5-4-6-8-13/h4-8,11-12,20H,3,9-10H2,1-2H3,(H,18,21)
InChIKeyNXLGZNZXGMBDOT-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.15
Rot. Bonds6

About N-(1-hydroxy-3-methylpentan-3-yl)-3-phenylimidazole-4-carboxamide

N-(1-hydroxy-3-methylpentan-3-yl)-3-phenylimidazole-4-carboxamide (PubChem CID 106167148) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylpentan-3-yl)-3-phenylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylpentan-3-yl)-3-phenylimidazole-4-carboxamide
PubChem CID106167148
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(1-hydroxy-3-methylpentan-3-yl)-3-phenylimidazole-4-carboxamide
SMILESCCC(C)(CCO)NC(=O)c1cncn1-c1ccccc1
InChIInChI=1S/C16H21N3O2/c1-3-16(2,9-10-20)18-15(21)14-11-17-12-19(14)13-7-5-4-6-8-13/h4-8,11-12,20H,3,9-10H2,1-2H3,(H,18,21)
InChIKeyNXLGZNZXGMBDOT-UHFFFAOYSA-N
XLogP2.15
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-phenylimidazole-4-carboxamide
CID 47109591
N-[(2S)-1-hydroxybutan-2-yl]-3-phenylimidazole-4-carboxamide
CID 93033612
N-(4-hydroxybutyl)-3-phenylimidazole-4-carboxamide
CID 106843413
N-(1-hydroxy-3-methylpentan-3-yl)pyridine-4-carboxamide
CID 86783655
2-[(1-hydroxy-3-methylpentan-3-yl)carbamoyl]benzoic acid
CID 106167893
N-(1-hydroxy-3-methylpentan-3-yl)-4-imidazol-1-ylbenzamide
CID 110002138
(2S)-3-hydroxy-2-[(3-phenylimidazole-4-carbonyl)amino]propanoic acid
CID 61153195
N'-(4-ethylbenzoyl)-3-phenylimidazole-4-carbohydrazide
CID 30507763
N-(1-hydroxy-3-methylpentan-3-yl)-3-sulfanylbenzamide
CID 114153832
N-(1-hydroxy-3-methylpentan-3-yl)-4-(tetrazol-1-yl)benzamide
CID 103945863
N-[(1R,2R)-2-ethylcyclopropyl]-3-phenylimidazole-4-carboxamide
CID 100656473
3-phenyl-N-phenylmethoxyimidazole-4-carboxamide
CID 17426431

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-3-phenylimidazole-4-carboxamide?
The IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-3-phenylimidazole-4-carboxamide (CID 106167148) is N-(1-hydroxy-3-methylpentan-3-yl)-3-phenylimidazole-4-carboxamide.
What is the SMILES notation for N-(1-hydroxy-3-methylpentan-3-yl)-3-phenylimidazole-4-carboxamide?
The canonical SMILES for N-(1-hydroxy-3-methylpentan-3-yl)-3-phenylimidazole-4-carboxamide is CCC(C)(CCO)NC(=O)c1cncn1-c1ccccc1.
What is the InChIKey of N-(1-hydroxy-3-methylpentan-3-yl)-3-phenylimidazole-4-carboxamide?
The InChIKey is NXLGZNZXGMBDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-16(2,9-10-20)18-15(21)14-11-17-12-19(14)13-7-5-4-6-8-13/h4-8,11-12,20H,3,9-10H2,1-2H3,(H,18,21).
What are the key properties of N-(1-hydroxy-3-methylpentan-3-yl)-3-phenylimidazole-4-carboxamide?
N-(1-hydroxy-3-methylpentan-3-yl)-3-phenylimidazole-4-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylpentan-3-yl)-3-phenylimidazole-4-carboxamide is sourced from PubChem (CID 106167148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).