N-benzyl-2-(1H-imidazole-2-carbonyl)benzamide

C18H15N3O2 — CID 776659

IUPACN-benzyl-2-(1H-imidazole-2-carbonyl)benzamide
SMILESO=C(NCc1ccccc1)c1ccccc1C(=O)c1ncc[nH]1
InChIInChI=1S/C18H15N3O2/c22-16(17-19-10-11-20-17)14-8-4-5-9-15(14)18(23)21-12-13-6-2-1-3-7-13/h1-11H,12H2,(H,19,20)(H,21,23)
InChIKeyOAUMPPGMBJWDBJ-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.57
Rot. Bonds5

About N-benzyl-2-(1H-imidazole-2-carbonyl)benzamide

N-benzyl-2-(1H-imidazole-2-carbonyl)benzamide (PubChem CID 776659) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-benzyl-2-(1H-imidazole-2-carbonyl)benzamide.

Molecular Properties

Compound NameN-benzyl-2-(1H-imidazole-2-carbonyl)benzamide
PubChem CID776659
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC NameN-benzyl-2-(1H-imidazole-2-carbonyl)benzamide
SMILESO=C(NCc1ccccc1)c1ccccc1C(=O)c1ncc[nH]1
InChIInChI=1S/C18H15N3O2/c22-16(17-19-10-11-20-17)14-8-4-5-9-15(14)18(23)21-12-13-6-2-1-3-7-13/h1-11H,12H2,(H,19,20)(H,21,23)
InChIKeyOAUMPPGMBJWDBJ-UHFFFAOYSA-N
XLogP2.57
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1H-imidazole-2-carbonyl)benzamide?
The IUPAC name of N-benzyl-2-(1H-imidazole-2-carbonyl)benzamide (CID 776659) is N-benzyl-2-(1H-imidazole-2-carbonyl)benzamide.
What is the SMILES notation for N-benzyl-2-(1H-imidazole-2-carbonyl)benzamide?
The canonical SMILES for N-benzyl-2-(1H-imidazole-2-carbonyl)benzamide is O=C(NCc1ccccc1)c1ccccc1C(=O)c1ncc[nH]1.
What is the InChIKey of N-benzyl-2-(1H-imidazole-2-carbonyl)benzamide?
The InChIKey is OAUMPPGMBJWDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c22-16(17-19-10-11-20-17)14-8-4-5-9-15(14)18(23)21-12-13-6-2-1-3-7-13/h1-11H,12H2,(H,19,20)(H,21,23).
What are the key properties of N-benzyl-2-(1H-imidazole-2-carbonyl)benzamide?
N-benzyl-2-(1H-imidazole-2-carbonyl)benzamide has a molecular weight of 305.34 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1H-imidazole-2-carbonyl)benzamide is sourced from PubChem (CID 776659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).