1-[(4-methylphenyl)methyl]-N-phenylimidazole-2-carboxamide

C18H17N3O — CID 3725533

IUPAC1-[(4-methylphenyl)methyl]-N-phenylimidazole-2-carboxamide
SMILESCc1ccc(Cn2ccnc2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H17N3O/c1-14-7-9-15(10-8-14)13-21-12-11-19-17(21)18(22)20-16-5-3-2-4-6-16/h2-12H,13H2,1H3,(H,20,22)
InChIKeyAPNUKLIDXPYRCL-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.49
Rot. Bonds4

About 1-[(4-methylphenyl)methyl]-N-phenylimidazole-2-carboxamide

1-[(4-methylphenyl)methyl]-N-phenylimidazole-2-carboxamide (PubChem CID 3725533) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-N-phenylimidazole-2-carboxamide.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-N-phenylimidazole-2-carboxamide
PubChem CID3725533
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name1-[(4-methylphenyl)methyl]-N-phenylimidazole-2-carboxamide
SMILESCc1ccc(Cn2ccnc2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H17N3O/c1-14-7-9-15(10-8-14)13-21-12-11-19-17(21)18(22)20-16-5-3-2-4-6-16/h2-12H,13H2,1H3,(H,20,22)
InChIKeyAPNUKLIDXPYRCL-UHFFFAOYSA-N
XLogP3.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-N-phenylimidazole-2-carboxamide?
The IUPAC name of 1-[(4-methylphenyl)methyl]-N-phenylimidazole-2-carboxamide (CID 3725533) is 1-[(4-methylphenyl)methyl]-N-phenylimidazole-2-carboxamide.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-N-phenylimidazole-2-carboxamide?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-N-phenylimidazole-2-carboxamide is Cc1ccc(Cn2ccnc2C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-N-phenylimidazole-2-carboxamide?
The InChIKey is APNUKLIDXPYRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-14-7-9-15(10-8-14)13-21-12-11-19-17(21)18(22)20-16-5-3-2-4-6-16/h2-12H,13H2,1H3,(H,20,22).
What are the key properties of 1-[(4-methylphenyl)methyl]-N-phenylimidazole-2-carboxamide?
1-[(4-methylphenyl)methyl]-N-phenylimidazole-2-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-N-phenylimidazole-2-carboxamide is sourced from PubChem (CID 3725533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).