N-(2H-benzotriazol-5-yl)-2-(2,4-dichloroanilino)-3H-benzimidazole-5-carboxamide

C20H13Cl2N7O — CID 123886991

IUPACN-(2H-benzotriazol-5-yl)-2-(2,4-dichloroanilino)-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc2n[nH]nc2c1)c1ccc2nc(Nc3ccc(Cl)cc3Cl)[nH]c2c1
InChIInChI=1S/C20H13Cl2N7O/c21-11-2-5-14(13(22)8-11)24-20-25-15-4-1-10(7-17(15)26-20)19(30)23-12-3-6-16-18(9-12)28-29-27-16/h1-9H,(H,23,30)(H2,24,25,26)(H,27,28,29)
InChIKeyDUMRNDCZYNGEIU-UHFFFAOYSA-N
MW438.28 g/mol
LogP5.14
Rot. Bonds4

About N-(2H-benzotriazol-5-yl)-2-(2,4-dichloroanilino)-3H-benzimidazole-5-carboxamide

N-(2H-benzotriazol-5-yl)-2-(2,4-dichloroanilino)-3H-benzimidazole-5-carboxamide (PubChem CID 123886991) has the molecular formula C20H13Cl2N7O and a molecular weight of 438.28 g/mol. Its IUPAC name is N-(2H-benzotriazol-5-yl)-2-(2,4-dichloroanilino)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2H-benzotriazol-5-yl)-2-(2,4-dichloroanilino)-3H-benzimidazole-5-carboxamide
PubChem CID123886991
Molecular FormulaC20H13Cl2N7O
Molecular Weight438.28 g/mol
Exact Mass437.06
IUPAC NameN-(2H-benzotriazol-5-yl)-2-(2,4-dichloroanilino)-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc2n[nH]nc2c1)c1ccc2nc(Nc3ccc(Cl)cc3Cl)[nH]c2c1
InChIInChI=1S/C20H13Cl2N7O/c21-11-2-5-14(13(22)8-11)24-20-25-15-4-1-10(7-17(15)26-20)19(30)23-12-3-6-16-18(9-12)28-29-27-16/h1-9H,(H,23,30)(H2,24,25,26)(H,27,28,29)
InChIKeyDUMRNDCZYNGEIU-UHFFFAOYSA-N
XLogP5.14
TPSA111.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.28
LogP ≤ 55.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-(2H-benzotriazol-5-yl)-2-(2,4-dichloroanilino)-3H-benzimidazole-5-carboxamide 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-(3-bromophenyl)-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide
CID 45138811
N-(2H-benzotriazol-5-yl)-1H-indole-6-carboxamide
CID 71918413
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide
CID 87318781
N-(3,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 58562173
N-(3,4-difluorophenyl)-2H-benzotriazole-5-carboxamide
CID 110468853
3,4-dichloro-N-(2-chloro-3H-benzimidazol-5-yl)benzamide
CID 84580791
N-[3-[(6-chloro-1H-benzimidazol-2-yl)amino]phenyl]acetamide
CID 82562667
1-N,4-N-bis(6-chloro-1H-benzimidazol-2-yl)benzene-1,4-diamine
CID 14688884
2-(2,4-dichloroanilino)-6-(diethylamino)-3H-benzimidazole-5-carboxylic acid
CID 71256142
N-(3-chloro-4-methylphenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 58562209
N-quinolin-6-yl-2H-benzotriazole-5-carboxamide
CID 60555981
2-(2,6-dichlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 87217495

Frequently Asked Questions

What is the IUPAC name of N-(2H-benzotriazol-5-yl)-2-(2,4-dichloroanilino)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(2H-benzotriazol-5-yl)-2-(2,4-dichloroanilino)-3H-benzimidazole-5-carboxamide (CID 123886991) is N-(2H-benzotriazol-5-yl)-2-(2,4-dichloroanilino)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(2H-benzotriazol-5-yl)-2-(2,4-dichloroanilino)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(2H-benzotriazol-5-yl)-2-(2,4-dichloroanilino)-3H-benzimidazole-5-carboxamide is O=C(Nc1ccc2n[nH]nc2c1)c1ccc2nc(Nc3ccc(Cl)cc3Cl)[nH]c2c1.
What is the InChIKey of N-(2H-benzotriazol-5-yl)-2-(2,4-dichloroanilino)-3H-benzimidazole-5-carboxamide?
The InChIKey is DUMRNDCZYNGEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2N7O/c21-11-2-5-14(13(22)8-11)24-20-25-15-4-1-10(7-17(15)26-20)19(30)23-12-3-6-16-18(9-12)28-29-27-16/h1-9H,(H,23,30)(H2,24,25,26)(H,27,28,29).
What are the key properties of N-(2H-benzotriazol-5-yl)-2-(2,4-dichloroanilino)-3H-benzimidazole-5-carboxamide?
N-(2H-benzotriazol-5-yl)-2-(2,4-dichloroanilino)-3H-benzimidazole-5-carboxamide has a molecular weight of 438.28 g/mol, XLogP of 5.14, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-benzotriazol-5-yl)-2-(2,4-dichloroanilino)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 123886991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).