N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-(4-chlorophenyl)-4-oxobutanamide

C24H20ClN3O2 — CID 78839236

IUPACN-[3H-benzimidazol-5-yl(phenyl)methyl]-4-(4-chlorophenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(Cl)cc1)NC(c1ccccc1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C24H20ClN3O2/c25-19-9-6-16(7-10-19)22(29)12-13-23(30)28-24(17-4-2-1-3-5-17)18-8-11-20-21(14-18)27-15-26-20/h1-11,14-15,24H,12-13H2,(H,26,27)(H,28,30)
InChIKeyAXGCUVCKAUGTAO-UHFFFAOYSA-N
MW417.90 g/mol
LogP5.09
Rot. Bonds7

About N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-(4-chlorophenyl)-4-oxobutanamide

N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-(4-chlorophenyl)-4-oxobutanamide (PubChem CID 78839236) has the molecular formula C24H20ClN3O2 and a molecular weight of 417.90 g/mol. Its IUPAC name is N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-(4-chlorophenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[3H-benzimidazol-5-yl(phenyl)methyl]-4-(4-chlorophenyl)-4-oxobutanamide
PubChem CID78839236
Molecular FormulaC24H20ClN3O2
Molecular Weight417.90 g/mol
Exact Mass417.12
IUPAC NameN-[3H-benzimidazol-5-yl(phenyl)methyl]-4-(4-chlorophenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(Cl)cc1)NC(c1ccccc1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C24H20ClN3O2/c25-19-9-6-16(7-10-19)22(29)12-13-23(30)28-24(17-4-2-1-3-5-17)18-8-11-20-21(14-18)27-15-26-20/h1-11,14-15,24H,12-13H2,(H,26,27)(H,28,30)
InChIKeyAXGCUVCKAUGTAO-UHFFFAOYSA-N
XLogP5.09
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.90
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-(4-chlorophenyl)-4-oxobutanamide 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-benzhydryl-4-(4-chlorophenyl)-4-oxobutanamide
CID 39676655
N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-phenylbutanamide
CID 78876519
1-(3H-benzimidazol-5-yl)-4-phenylbutane-1,4-dione
CID 90354958
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(4-chlorophenyl)sulfanylpropanamide
CID 24621619
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-(4-methoxyphenyl)acetamide
CID 86916761
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(2-methylphenoxy)acetamide
CID 42883479
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2,4-dimethylbenzamide
CID 78836794
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119840634
N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-(piperidin-1-ylmethyl)benzamide
CID 24621595
N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 78839255

Frequently Asked Questions

What is the IUPAC name of N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-(4-chlorophenyl)-4-oxobutanamide?
The IUPAC name of N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-(4-chlorophenyl)-4-oxobutanamide (CID 78839236) is N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-(4-chlorophenyl)-4-oxobutanamide.
What is the SMILES notation for N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-(4-chlorophenyl)-4-oxobutanamide?
The canonical SMILES for N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-(4-chlorophenyl)-4-oxobutanamide is O=C(CCC(=O)c1ccc(Cl)cc1)NC(c1ccccc1)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-(4-chlorophenyl)-4-oxobutanamide?
The InChIKey is AXGCUVCKAUGTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O2/c25-19-9-6-16(7-10-19)22(29)12-13-23(30)28-24(17-4-2-1-3-5-17)18-8-11-20-21(14-18)27-15-26-20/h1-11,14-15,24H,12-13H2,(H,26,27)(H,28,30).
What are the key properties of N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-(4-chlorophenyl)-4-oxobutanamide?
N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-(4-chlorophenyl)-4-oxobutanamide has a molecular weight of 417.90 g/mol, XLogP of 5.09, 7 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]-4-(4-chlorophenyl)-4-oxobutanamide is sourced from PubChem (CID 78839236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).