N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(4-methoxyphenyl)acetamide

C23H21N3O2 — CID 86916761

IUPACN-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC(c2ccccc2)c2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C23H21N3O2/c1-28-19-10-7-16(8-11-19)13-22(27)26-23(17-5-3-2-4-6-17)18-9-12-20-21(14-18)25-15-24-20/h2-12,14-15,23H,13H2,1H3,(H,24,25)(H,26,27)
InChIKeyYSRAKSLIVJWSTK-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.02
Rot. Bonds6

About N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(4-methoxyphenyl)acetamide

N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 86916761) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(4-methoxyphenyl)acetamide
PubChem CID86916761
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC NameN-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC(c2ccccc2)c2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C23H21N3O2/c1-28-19-10-7-16(8-11-19)13-22(27)26-23(17-5-3-2-4-6-17)18-9-12-20-21(14-18)25-15-24-20/h2-12,14-15,23H,13H2,1H3,(H,24,25)(H,26,27)
InChIKeyYSRAKSLIVJWSTK-UHFFFAOYSA-N
XLogP4.02
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(4-methoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(S)-3H-benzimidazol-5-yl(phenyl)methyl]-3-(3,5-dimethoxyphenyl)propanamide
CID 25474476
N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(3-methoxyphenyl)propanamide
CID 24666701
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-hydroxy-4-methoxybenzamide
CID 112809173
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-bromo-5-methoxybenzamide
CID 78836790
N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-phenylbutanamide
CID 78876519
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(2-methylphenoxy)acetamide
CID 42883479
2-(4-methoxyphenyl)-N-[phenyl-(4-phenylphenyl)methyl]acetamide
CID 2964251
N-[2-[[3H-benzimidazol-5-yl(phenyl)methyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 78886875
2-(3-methoxyphenyl)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 51187291
N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-(4-chlorophenyl)-4-oxobutanamide
CID 78839236
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119840634
2-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 42907688

Frequently Asked Questions

What is the IUPAC name of N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(4-methoxyphenyl)acetamide (CID 86916761) is N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NC(c2ccccc2)c2ccc3nc[nH]c3c2)cc1.
What is the InChIKey of N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is YSRAKSLIVJWSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-28-19-10-7-16(8-11-19)13-22(27)26-23(17-5-3-2-4-6-17)18-9-12-20-21(14-18)25-15-24-20/h2-12,14-15,23H,13H2,1H3,(H,24,25)(H,26,27).
What are the key properties of N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(4-methoxyphenyl)acetamide?
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 371.44 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 86916761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).