N-(2-imidazol-1-ylphenyl)-4-methylbenzamide

C17H15N3O — CID 12911544

IUPACN-(2-imidazol-1-ylphenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2-n2ccnc2)cc1
InChIInChI=1S/C17H15N3O/c1-13-6-8-14(9-7-13)17(21)19-15-4-2-3-5-16(15)20-11-10-18-12-20/h2-12H,1H3,(H,19,21)
InChIKeyMBXZEYGGYHAADA-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.43
Rot. Bonds3

About N-(2-imidazol-1-ylphenyl)-4-methylbenzamide

N-(2-imidazol-1-ylphenyl)-4-methylbenzamide (PubChem CID 12911544) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is N-(2-imidazol-1-ylphenyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylphenyl)-4-methylbenzamide
PubChem CID12911544
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC NameN-(2-imidazol-1-ylphenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2-n2ccnc2)cc1
InChIInChI=1S/C17H15N3O/c1-13-6-8-14(9-7-13)17(21)19-15-4-2-3-5-16(15)20-11-10-18-12-20/h2-12H,1H3,(H,19,21)
InChIKeyMBXZEYGGYHAADA-UHFFFAOYSA-N
XLogP3.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-imidazol-1-ylphenyl)-1H-pyrazole-4-carboxamide
CID 60967253
N-(2-imidazol-1-ylphenyl)-2-methoxybenzamide
CID 12911562
N-(2-imidazol-1-ylphenyl)-3,4,5-trimethoxybenzamide
CID 12911567
N-(2-aminophenyl)-4-imidazol-1-ylbenzamide
CID 110484015
N-(2-imidazol-1-ylphenyl)imidazole-1-carboxamide
CID 81257478
N-(2-imidazol-1-ylphenyl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 55597500
4-chloro-N-(2-imidazol-1-ylphenyl)pyridine-3-carboxamide
CID 81228247
N-(2-imidazol-1-ylphenyl)-2-(propan-2-ylamino)acetamide
CID 60842536
5-chloro-N-(2-imidazol-1-ylphenyl)thiophene-2-carboxamide
CID 47165423
N-(2-imidazol-1-ylphenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 94072580
N-(2-imidazol-1-ylphenyl)-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 55911512
1-(4-chlorophenyl)-N-(2-imidazol-1-ylphenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 78899796

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylphenyl)-4-methylbenzamide?
The IUPAC name of N-(2-imidazol-1-ylphenyl)-4-methylbenzamide (CID 12911544) is N-(2-imidazol-1-ylphenyl)-4-methylbenzamide.
What is the SMILES notation for N-(2-imidazol-1-ylphenyl)-4-methylbenzamide?
The canonical SMILES for N-(2-imidazol-1-ylphenyl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccccc2-n2ccnc2)cc1.
What is the InChIKey of N-(2-imidazol-1-ylphenyl)-4-methylbenzamide?
The InChIKey is MBXZEYGGYHAADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-13-6-8-14(9-7-13)17(21)19-15-4-2-3-5-16(15)20-11-10-18-12-20/h2-12H,1H3,(H,19,21).
What are the key properties of N-(2-imidazol-1-ylphenyl)-4-methylbenzamide?
N-(2-imidazol-1-ylphenyl)-4-methylbenzamide has a molecular weight of 277.33 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylphenyl)-4-methylbenzamide is sourced from PubChem (CID 12911544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).