N-(2-aminophenyl)-4-[2-(2-chlorobenzimidazol-1-yl)acetyl]benzamide

C22H17ClN4O2 — CID 141267231

IUPACN-(2-aminophenyl)-4-[2-(2-chlorobenzimidazol-1-yl)acetyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(C(=O)Cn2c(Cl)nc3ccccc32)cc1
InChIInChI=1S/C22H17ClN4O2/c23-22-26-18-7-3-4-8-19(18)27(22)13-20(28)14-9-11-15(12-10-14)21(29)25-17-6-2-1-5-16(17)24/h1-12H,13,24H2,(H,25,29)
InChIKeyRYLWJQNMBCPMPE-UHFFFAOYSA-N
MW404.86 g/mol
LogP4.41
Rot. Bonds5

About N-(2-aminophenyl)-4-[2-(2-chlorobenzimidazol-1-yl)acetyl]benzamide

N-(2-aminophenyl)-4-[2-(2-chlorobenzimidazol-1-yl)acetyl]benzamide (PubChem CID 141267231) has the molecular formula C22H17ClN4O2 and a molecular weight of 404.86 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[2-(2-chlorobenzimidazol-1-yl)acetyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[2-(2-chlorobenzimidazol-1-yl)acetyl]benzamide
PubChem CID141267231
Molecular FormulaC22H17ClN4O2
Molecular Weight404.86 g/mol
Exact Mass404.10
IUPAC NameN-(2-aminophenyl)-4-[2-(2-chlorobenzimidazol-1-yl)acetyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(C(=O)Cn2c(Cl)nc3ccccc32)cc1
InChIInChI=1S/C22H17ClN4O2/c23-22-26-18-7-3-4-8-19(18)27(22)13-20(28)14-9-11-15(12-10-14)21(29)25-17-6-2-1-5-16(17)24/h1-12H,13,24H2,(H,25,29)
InChIKeyRYLWJQNMBCPMPE-UHFFFAOYSA-N
XLogP4.41
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.86
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(2-aminophenyl)-4-[2-(2-chlorobenzimidazol-1-yl)acetyl]benzamide 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-(2-aminophenyl)-4-[(1-propylbenzimidazol-2-yl)amino]benzamide
CID 88993158
4-chloro-N-[2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]phenyl]benzamide
CID 31965173
N-(2-aminophenyl)-4-hydroxybenzamide;ethane
CID 145225833
2-[2-(4-chlorobenzoyl)benzimidazol-1-yl]-1-phenylethanone
CID 51032263
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098
N-(2-aminophenyl)-4-(benzimidazol-1-ylmethyl)-3-chlorobenzamide
CID 11632239
N-(2-aminophenyl)-4-(pyrrol-1-ylmethyl)benzamide
CID 174854495
N-(2-aminophenyl)-4-[(3-methylindazol-2-yl)methyl]benzamide
CID 24990408
N-(2-aminophenyl)-4-[(6-chloro-2-methyl-4-oxoquinazolin-3-yl)methyl]benzamide
CID 10159021
N-(2-aminophenyl)-4-(2,2-dimethylpropyl)benzamide
CID 58916411
N-(2-aminophenyl)-4-(hydroxyamino)benzamide
CID 155418611
1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid
CID 59341274

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[2-(2-chlorobenzimidazol-1-yl)acetyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[2-(2-chlorobenzimidazol-1-yl)acetyl]benzamide (CID 141267231) is N-(2-aminophenyl)-4-[2-(2-chlorobenzimidazol-1-yl)acetyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[2-(2-chlorobenzimidazol-1-yl)acetyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[2-(2-chlorobenzimidazol-1-yl)acetyl]benzamide is Nc1ccccc1NC(=O)c1ccc(C(=O)Cn2c(Cl)nc3ccccc32)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[2-(2-chlorobenzimidazol-1-yl)acetyl]benzamide?
The InChIKey is RYLWJQNMBCPMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O2/c23-22-26-18-7-3-4-8-19(18)27(22)13-20(28)14-9-11-15(12-10-14)21(29)25-17-6-2-1-5-16(17)24/h1-12H,13,24H2,(H,25,29).
What are the key properties of N-(2-aminophenyl)-4-[2-(2-chlorobenzimidazol-1-yl)acetyl]benzamide?
N-(2-aminophenyl)-4-[2-(2-chlorobenzimidazol-1-yl)acetyl]benzamide has a molecular weight of 404.86 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[2-(2-chlorobenzimidazol-1-yl)acetyl]benzamide is sourced from PubChem (CID 141267231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).