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

C20H21N3O2 — CID 110440273

IUPAC4-methoxy-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]benzamide
SMILESCOc1ccc(C(=O)NC(c2ccccc2C)c2nccn2C)cc1
InChIInChI=1S/C20H21N3O2/c1-14-6-4-5-7-17(14)18(19-21-12-13-23(19)2)22-20(24)15-8-10-16(25-3)11-9-15/h4-13,18H,1-3H3,(H,22,24)
InChIKeyVGNKIYCCMHGSDB-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.26
Rot. Bonds5

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

4-methoxy-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]benzamide (PubChem CID 110440273) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-methoxy-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]benzamide
PubChem CID110440273
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name4-methoxy-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]benzamide
SMILESCOc1ccc(C(=O)NC(c2ccccc2C)c2nccn2C)cc1
InChIInChI=1S/C20H21N3O2/c1-14-6-4-5-7-17(14)18(19-21-12-13-23(19)2)22-20(24)15-8-10-16(25-3)11-9-15/h4-13,18H,1-3H3,(H,22,24)
InChIKeyVGNKIYCCMHGSDB-UHFFFAOYSA-N
XLogP3.26
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 25388797
3-methoxy-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylbenzamide
CID 51269549
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
CID 46529258
4-fluoro-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 51269372
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylsulfinylbenzamide
CID 51269524
4-benzamido-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46537794
4-cyano-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 42923268
N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110444793
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-6-methylpyridine-3-carboxamide
CID 46451083
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylsulfonylbenzamide
CID 51269492
2,2-dimethyl-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]propanamide
CID 110444680
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide
CID 46569284

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]benzamide?
The IUPAC name of 4-methoxy-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]benzamide (CID 110440273) is 4-methoxy-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]benzamide?
The canonical SMILES for 4-methoxy-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]benzamide is COc1ccc(C(=O)NC(c2ccccc2C)c2nccn2C)cc1.
What is the InChIKey of 4-methoxy-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]benzamide?
The InChIKey is VGNKIYCCMHGSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14-6-4-5-7-17(14)18(19-21-12-13-23(19)2)22-20(24)15-8-10-16(25-3)11-9-15/h4-13,18H,1-3H3,(H,22,24).
What are the key properties of 4-methoxy-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]benzamide?
4-methoxy-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]benzamide has a molecular weight of 335.41 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]benzamide is sourced from PubChem (CID 110440273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).