4-[(2-methylimidazol-1-yl)methyl]-N-(2-methylphenyl)benzamide

C19H19N3O — CID 43919010

IUPAC4-[(2-methylimidazol-1-yl)methyl]-N-(2-methylphenyl)benzamide
SMILESCc1ccccc1NC(=O)c1ccc(Cn2ccnc2C)cc1
InChIInChI=1S/C19H19N3O/c1-14-5-3-4-6-18(14)21-19(23)17-9-7-16(8-10-17)13-22-12-11-20-15(22)2/h3-12H,13H2,1-2H3,(H,21,23)
InChIKeyZCULXXKZRVOALV-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.80
Rot. Bonds4

About 4-[(2-methylimidazol-1-yl)methyl]-N-(2-methylphenyl)benzamide

4-[(2-methylimidazol-1-yl)methyl]-N-(2-methylphenyl)benzamide (PubChem CID 43919010) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-[(2-methylimidazol-1-yl)methyl]-N-(2-methylphenyl)benzamide.

Molecular Properties

Compound Name4-[(2-methylimidazol-1-yl)methyl]-N-(2-methylphenyl)benzamide
PubChem CID43919010
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name4-[(2-methylimidazol-1-yl)methyl]-N-(2-methylphenyl)benzamide
SMILESCc1ccccc1NC(=O)c1ccc(Cn2ccnc2C)cc1
InChIInChI=1S/C19H19N3O/c1-14-5-3-4-6-18(14)21-19(23)17-9-7-16(8-10-17)13-22-12-11-20-15(22)2/h3-12H,13H2,1-2H3,(H,21,23)
InChIKeyZCULXXKZRVOALV-UHFFFAOYSA-N
XLogP3.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(azepane-1-carbonyl)phenyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43925512
N-[(2R)-butan-2-yl]-2-[[4-[(2-methylimidazol-1-yl)methyl]benzoyl]amino]benzamide
CID 93492375
N-(3,4-dimethylphenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43919290
N-(3-acetamidophenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43925818
methyl 4-chloro-3-[[4-[(2-methylimidazol-1-yl)methyl]benzoyl]amino]benzoate
CID 43925127
4-[(2-methylimidazol-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43918417
4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylmethoxyphenyl)benzamide
CID 43922241
4-[(2-methylimidazol-1-yl)methyl]-N-[(2-methylphenyl)-phenylmethyl]benzamide
CID 46776702
N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-pyrazol-1-ylbenzamide
CID 131899424
N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide
CID 131940335
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 46765943
4-[(2-methylimidazol-1-yl)methyl]-N-(2-methyl-1-phenylpropan-2-yl)benzamide
CID 100588442

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylimidazol-1-yl)methyl]-N-(2-methylphenyl)benzamide?
The IUPAC name of 4-[(2-methylimidazol-1-yl)methyl]-N-(2-methylphenyl)benzamide (CID 43919010) is 4-[(2-methylimidazol-1-yl)methyl]-N-(2-methylphenyl)benzamide.
What is the SMILES notation for 4-[(2-methylimidazol-1-yl)methyl]-N-(2-methylphenyl)benzamide?
The canonical SMILES for 4-[(2-methylimidazol-1-yl)methyl]-N-(2-methylphenyl)benzamide is Cc1ccccc1NC(=O)c1ccc(Cn2ccnc2C)cc1.
What is the InChIKey of 4-[(2-methylimidazol-1-yl)methyl]-N-(2-methylphenyl)benzamide?
The InChIKey is ZCULXXKZRVOALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-14-5-3-4-6-18(14)21-19(23)17-9-7-16(8-10-17)13-22-12-11-20-15(22)2/h3-12H,13H2,1-2H3,(H,21,23).
What are the key properties of 4-[(2-methylimidazol-1-yl)methyl]-N-(2-methylphenyl)benzamide?
4-[(2-methylimidazol-1-yl)methyl]-N-(2-methylphenyl)benzamide has a molecular weight of 305.38 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylimidazol-1-yl)methyl]-N-(2-methylphenyl)benzamide is sourced from PubChem (CID 43919010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).