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

C20H20N4O2 — CID 43925818

IUPACN-(3-acetamidophenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc(Cn3ccnc3C)cc2)c1
InChIInChI=1S/C20H20N4O2/c1-14-21-10-11-24(14)13-16-6-8-17(9-7-16)20(26)23-19-5-3-4-18(12-19)22-15(2)25/h3-12H,13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyZVYFBZSGLLBSCV-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.45
Rot. Bonds5

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

N-(3-acetamidophenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide (PubChem CID 43925818) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
PubChem CID43925818
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-(3-acetamidophenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc(Cn3ccnc3C)cc2)c1
InChIInChI=1S/C20H20N4O2/c1-14-21-10-11-24(14)13-16-6-8-17(9-7-16)20(26)23-19-5-3-4-18(12-19)22-15(2)25/h3-12H,13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyZVYFBZSGLLBSCV-UHFFFAOYSA-N
XLogP3.45
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43919290
N-(4-bromo-3-chlorophenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43924902
4-[(2-methylimidazol-1-yl)methyl]-N-(2-methylphenyl)benzamide
CID 43919010
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43922204
N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-4-morpholin-4-ylbenzamide
CID 46974679
4-[[2-(3-acetamidophenyl)imidazol-1-yl]methyl]benzoic acid
CID 82559468
4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylmethoxyphenyl)benzamide
CID 43922241
4-(5-amino-3-methylpyrazol-1-yl)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]benzamide
CID 46974322
4-[(2-methylimidazol-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43918417
4-[(2-methylimidazol-1-yl)methyl]-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
CID 100560997
methyl 4-chloro-3-[[4-[(2-methylimidazol-1-yl)methyl]benzoyl]amino]benzoate
CID 43925127
N-(4-cyclopentyloxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 46775326

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide?
The IUPAC name of N-(3-acetamidophenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide (CID 43925818) is N-(3-acetamidophenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide.
What is the SMILES notation for N-(3-acetamidophenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide?
The canonical SMILES for N-(3-acetamidophenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide is CC(=O)Nc1cccc(NC(=O)c2ccc(Cn3ccnc3C)cc2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide?
The InChIKey is ZVYFBZSGLLBSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-14-21-10-11-24(14)13-16-6-8-17(9-7-16)20(26)23-19-5-3-4-18(12-19)22-15(2)25/h3-12H,13H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-(3-acetamidophenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide?
N-(3-acetamidophenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide has a molecular weight of 348.41 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide is sourced from PubChem (CID 43925818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).