N-(3,4-dimethylphenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide

C20H21N3O — CID 43919290

IUPACN-(3,4-dimethylphenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(Cn3ccnc3C)cc2)cc1C
InChIInChI=1S/C20H21N3O/c1-14-4-9-19(12-15(14)2)22-20(24)18-7-5-17(6-8-18)13-23-11-10-21-16(23)3/h4-12H,13H2,1-3H3,(H,22,24)
InChIKeyMGNLSBHFEFXMQR-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.11
Rot. Bonds4

About N-(3,4-dimethylphenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide

N-(3,4-dimethylphenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide (PubChem CID 43919290) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
PubChem CID43919290
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC NameN-(3,4-dimethylphenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(Cn3ccnc3C)cc2)cc1C
InChIInChI=1S/C20H21N3O/c1-14-4-9-19(12-15(14)2)22-20(24)18-7-5-17(6-8-18)13-23-11-10-21-16(23)3/h4-12H,13H2,1-3H3,(H,22,24)
InChIKeyMGNLSBHFEFXMQR-UHFFFAOYSA-N
XLogP4.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43925818
N-(4-bromo-3-chlorophenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43924902
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43922204
4-[(2-methylimidazol-1-yl)methyl]-N-(2-methylphenyl)benzamide
CID 43919010
4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylmethoxyphenyl)benzamide
CID 43922241
4-[(2-methylimidazol-1-yl)methyl]-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
CID 100560997
N-(4-cyclopentyloxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 46775326
4-[(2-methylimidazol-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43918417
N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 56577246
4-cyclopentyloxy-3-methoxy-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]benzamide
CID 56506249
methyl 4-chloro-3-[[4-[(2-methylimidazol-1-yl)methyl]benzoyl]amino]benzoate
CID 43925127
2-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1-phenylbenzimidazole-5-carboxamide
CID 56512878

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide (CID 43919290) is N-(3,4-dimethylphenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide is Cc1ccc(NC(=O)c2ccc(Cn3ccnc3C)cc2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide?
The InChIKey is MGNLSBHFEFXMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-14-4-9-19(12-15(14)2)22-20(24)18-7-5-17(6-8-18)13-23-11-10-21-16(23)3/h4-12H,13H2,1-3H3,(H,22,24).
What are the key properties of N-(3,4-dimethylphenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide?
N-(3,4-dimethylphenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide has a molecular weight of 319.41 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide is sourced from PubChem (CID 43919290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).