3-phenyl-N-phenylmethoxyimidazole-4-carboxamide

C17H15N3O2 — CID 17426431

IUPAC3-phenyl-N-phenylmethoxyimidazole-4-carboxamide
SMILESO=C(NOCc1ccccc1)c1cncn1-c1ccccc1
InChIInChI=1S/C17H15N3O2/c21-17(19-22-12-14-7-3-1-4-8-14)16-11-18-13-20(16)15-9-5-2-6-10-15/h1-11,13H,12H2,(H,19,21)
InChIKeyFSXCKKPZSRZBHE-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.73
Rot. Bonds5

About 3-phenyl-N-phenylmethoxyimidazole-4-carboxamide

3-phenyl-N-phenylmethoxyimidazole-4-carboxamide (PubChem CID 17426431) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 3-phenyl-N-phenylmethoxyimidazole-4-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-phenylmethoxyimidazole-4-carboxamide
PubChem CID17426431
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name3-phenyl-N-phenylmethoxyimidazole-4-carboxamide
SMILESO=C(NOCc1ccccc1)c1cncn1-c1ccccc1
InChIInChI=1S/C17H15N3O2/c21-17(19-22-12-14-7-3-1-4-8-14)16-11-18-13-20(16)15-9-5-2-6-10-15/h1-11,13H,12H2,(H,19,21)
InChIKeyFSXCKKPZSRZBHE-UHFFFAOYSA-N
XLogP2.73
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-3-phenylimidazole-4-carboxamide
CID 47109591
(4-carbamoylphenyl)methyl 3-phenylimidazole-4-carboxylate
CID 26965172
3-phenyl-N-[(2R)-4-phenylbutan-2-yl]imidazole-4-carboxamide
CID 30969676
N'-(4-ethylbenzoyl)-3-phenylimidazole-4-carbohydrazide
CID 30507763
methyl (2S)-2-[(3-phenylimidazole-4-carbonyl)amino]propanoate
CID 87040197
1-(cyclopropylmethyl)-3-[(3-phenylimidazole-4-carbonyl)amino]urea
CID 71898793
N-(3-amino-2-methylpropyl)-3-phenylimidazole-4-carboxamide
CID 119996977
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
(2S)-3-hydroxy-2-[(3-phenylimidazole-4-carbonyl)amino]propanoic acid
CID 61153195
N-[2-(3,4-dihydroxyphenyl)ethyl]-3-phenylimidazole-4-carboxamide
CID 78820322
3-ethyl-1-methyl-N-phenylmethoxypyrazole-5-carboxamide
CID 66120747

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-phenylmethoxyimidazole-4-carboxamide?
The IUPAC name of 3-phenyl-N-phenylmethoxyimidazole-4-carboxamide (CID 17426431) is 3-phenyl-N-phenylmethoxyimidazole-4-carboxamide.
What is the SMILES notation for 3-phenyl-N-phenylmethoxyimidazole-4-carboxamide?
The canonical SMILES for 3-phenyl-N-phenylmethoxyimidazole-4-carboxamide is O=C(NOCc1ccccc1)c1cncn1-c1ccccc1.
What is the InChIKey of 3-phenyl-N-phenylmethoxyimidazole-4-carboxamide?
The InChIKey is FSXCKKPZSRZBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c21-17(19-22-12-14-7-3-1-4-8-14)16-11-18-13-20(16)15-9-5-2-6-10-15/h1-11,13H,12H2,(H,19,21).
What are the key properties of 3-phenyl-N-phenylmethoxyimidazole-4-carboxamide?
3-phenyl-N-phenylmethoxyimidazole-4-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-phenylmethoxyimidazole-4-carboxamide is sourced from PubChem (CID 17426431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).