(4-carbamoylphenyl)methyl 3-phenylimidazole-4-carboxylate

C18H15N3O3 — CID 26965172

IUPAC(4-carbamoylphenyl)methyl 3-phenylimidazole-4-carboxylate
SMILESNC(=O)c1ccc(COC(=O)c2cncn2-c2ccccc2)cc1
InChIInChI=1S/C18H15N3O3/c19-17(22)14-8-6-13(7-9-14)11-24-18(23)16-10-20-12-21(16)15-4-2-1-3-5-15/h1-10,12H,11H2,(H2,19,22)
InChIKeyJDAJDFRNYOFNNK-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.33
Rot. Bonds5

About (4-carbamoylphenyl)methyl 3-phenylimidazole-4-carboxylate

(4-carbamoylphenyl)methyl 3-phenylimidazole-4-carboxylate (PubChem CID 26965172) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is (4-carbamoylphenyl)methyl 3-phenylimidazole-4-carboxylate.

Molecular Properties

Compound Name(4-carbamoylphenyl)methyl 3-phenylimidazole-4-carboxylate
PubChem CID26965172
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name(4-carbamoylphenyl)methyl 3-phenylimidazole-4-carboxylate
SMILESNC(=O)c1ccc(COC(=O)c2cncn2-c2ccccc2)cc1
InChIInChI=1S/C18H15N3O3/c19-17(22)14-8-6-13(7-9-14)11-24-18(23)16-10-20-12-21(16)15-4-2-1-3-5-15/h1-10,12H,11H2,(H2,19,22)
InChIKeyJDAJDFRNYOFNNK-UHFFFAOYSA-N
XLogP2.33
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-N-phenylmethoxyimidazole-4-carboxamide
CID 17426431
N'-(4-ethylbenzoyl)-3-phenylimidazole-4-carbohydrazide
CID 30507763
[(E)-3-phenylprop-2-enyl] 3-phenylimidazole-4-carboxylate
CID 75363236
N-[(4-carbamoylphenyl)methyl]-3-(4-fluorophenyl)imidazole-4-carboxamide
CID 47007581
2-phenoxyethyl 3-(4-fluorophenyl)imidazole-4-carboxylate
CID 55367321
(4-carbamoylphenyl)methyl 3-(1-phenylpyrazol-4-yl)propanoate
CID 27318826
methyl (2S)-2-[(3-phenylimidazole-4-carbonyl)amino]propanoate
CID 87040197
N-ethyl-3-phenylimidazole-4-carboxamide
CID 47109591
(4-carbamoylphenyl)methyl 1-methyl-6-oxopyridazine-3-carboxylate
CID 55734963
dibenzyl pyridine-3,5-dicarboxylate
CID 71230133
4-(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)benzamide
CID 21089386
dibenzyl triazole-1,5-dicarboxylate
CID 170210626

Frequently Asked Questions

What is the IUPAC name of (4-carbamoylphenyl)methyl 3-phenylimidazole-4-carboxylate?
The IUPAC name of (4-carbamoylphenyl)methyl 3-phenylimidazole-4-carboxylate (CID 26965172) is (4-carbamoylphenyl)methyl 3-phenylimidazole-4-carboxylate.
What is the SMILES notation for (4-carbamoylphenyl)methyl 3-phenylimidazole-4-carboxylate?
The canonical SMILES for (4-carbamoylphenyl)methyl 3-phenylimidazole-4-carboxylate is NC(=O)c1ccc(COC(=O)c2cncn2-c2ccccc2)cc1.
What is the InChIKey of (4-carbamoylphenyl)methyl 3-phenylimidazole-4-carboxylate?
The InChIKey is JDAJDFRNYOFNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c19-17(22)14-8-6-13(7-9-14)11-24-18(23)16-10-20-12-21(16)15-4-2-1-3-5-15/h1-10,12H,11H2,(H2,19,22).
What are the key properties of (4-carbamoylphenyl)methyl 3-phenylimidazole-4-carboxylate?
(4-carbamoylphenyl)methyl 3-phenylimidazole-4-carboxylate has a molecular weight of 321.34 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-carbamoylphenyl)methyl 3-phenylimidazole-4-carboxylate is sourced from PubChem (CID 26965172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).