N-(2-aminophenyl)-4-(benzimidazol-1-ylmethyl)-3-chlorobenzamide

C21H17ClN4O — CID 11632239

IUPACN-(2-aminophenyl)-4-(benzimidazol-1-ylmethyl)-3-chlorobenzamide
SMILESNc1ccccc1NC(=O)c1ccc(Cn2cnc3ccccc32)c(Cl)c1
InChIInChI=1S/C21H17ClN4O/c22-16-11-14(21(27)25-18-6-2-1-5-17(18)23)9-10-15(16)12-26-13-24-19-7-3-4-8-20(19)26/h1-11,13H,12,23H2,(H,25,27)
InChIKeyNTHHPWFEWSZSRO-UHFFFAOYSA-N
MW376.85 g/mol
LogP4.57
Rot. Bonds4

About N-(2-aminophenyl)-4-(benzimidazol-1-ylmethyl)-3-chlorobenzamide

N-(2-aminophenyl)-4-(benzimidazol-1-ylmethyl)-3-chlorobenzamide (PubChem CID 11632239) has the molecular formula C21H17ClN4O and a molecular weight of 376.85 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-(benzimidazol-1-ylmethyl)-3-chlorobenzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-(benzimidazol-1-ylmethyl)-3-chlorobenzamide
PubChem CID11632239
Molecular FormulaC21H17ClN4O
Molecular Weight376.85 g/mol
Exact Mass376.11
IUPAC NameN-(2-aminophenyl)-4-(benzimidazol-1-ylmethyl)-3-chlorobenzamide
SMILESNc1ccccc1NC(=O)c1ccc(Cn2cnc3ccccc32)c(Cl)c1
InChIInChI=1S/C21H17ClN4O/c22-16-11-14(21(27)25-18-6-2-1-5-17(18)23)9-10-15(16)12-26-13-24-19-7-3-4-8-20(19)26/h1-11,13H,12,23H2,(H,25,27)
InChIKeyNTHHPWFEWSZSRO-UHFFFAOYSA-N
XLogP4.57
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.85
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(benzimidazol-1-ylmethyl)-3-chlorobenzenecarboximidamide
CID 102668035
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N-(2-aminophenyl)-4-[2-(2-chlorobenzimidazol-1-yl)acetyl]benzamide
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3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxylic acid
CID 18680874
N-(2-aminophenyl)-2-benzylindazole-5-carboxamide
CID 86299757
5-(benzimidazol-1-ylmethyl)-2-chloroaniline
CID 43169019
N-(2-aminophenyl)-4-[(3-methylindazol-2-yl)methyl]benzamide
CID 24990408
N-(2-aminophenyl)-1-benzylindazole-5-carboxamide
CID 78325027
N-(2-aminophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 58930508
N-(2-amino-4-methylphenyl)-2-(benzimidazol-1-yl)acetamide
CID 43376196
4-[(6-aminopurin-9-yl)methyl]-3-chlorobenzamide
CID 102669744
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-(benzimidazol-1-ylmethyl)-3-chlorobenzamide?
The IUPAC name of N-(2-aminophenyl)-4-(benzimidazol-1-ylmethyl)-3-chlorobenzamide (CID 11632239) is N-(2-aminophenyl)-4-(benzimidazol-1-ylmethyl)-3-chlorobenzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-(benzimidazol-1-ylmethyl)-3-chlorobenzamide?
The canonical SMILES for N-(2-aminophenyl)-4-(benzimidazol-1-ylmethyl)-3-chlorobenzamide is Nc1ccccc1NC(=O)c1ccc(Cn2cnc3ccccc32)c(Cl)c1.
What is the InChIKey of N-(2-aminophenyl)-4-(benzimidazol-1-ylmethyl)-3-chlorobenzamide?
The InChIKey is NTHHPWFEWSZSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O/c22-16-11-14(21(27)25-18-6-2-1-5-17(18)23)9-10-15(16)12-26-13-24-19-7-3-4-8-20(19)26/h1-11,13H,12,23H2,(H,25,27).
What are the key properties of N-(2-aminophenyl)-4-(benzimidazol-1-ylmethyl)-3-chlorobenzamide?
N-(2-aminophenyl)-4-(benzimidazol-1-ylmethyl)-3-chlorobenzamide has a molecular weight of 376.85 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-(benzimidazol-1-ylmethyl)-3-chlorobenzamide is sourced from PubChem (CID 11632239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).