6-chloro-N-(3,5-dichlorophenyl)-1H-benzimidazol-2-amine;hydrochloride

C13H9Cl4N3 — CID 24970552

IUPAC6-chloro-N-(3,5-dichlorophenyl)-1H-benzimidazol-2-amine;hydrochloride
SMILESCl.Clc1cc(Cl)cc(Nc2nc3ccc(Cl)cc3[nH]2)c1
InChIInChI=1S/C13H8Cl3N3.ClH/c14-7-1-2-11-12(6-7)19-13(18-11)17-10-4-8(15)3-9(16)5-10;/h1-6H,(H2,17,18,19);1H
InChIKeyKSMLRRNPDIIKRW-UHFFFAOYSA-N
MW349.05 g/mol
LogP5.69
Rot. Bonds2

About 6-chloro-N-(3,5-dichlorophenyl)-1H-benzimidazol-2-amine;hydrochloride

6-chloro-N-(3,5-dichlorophenyl)-1H-benzimidazol-2-amine;hydrochloride (PubChem CID 24970552) has the molecular formula C13H9Cl4N3 and a molecular weight of 349.05 g/mol. Its IUPAC name is 6-chloro-N-(3,5-dichlorophenyl)-1H-benzimidazol-2-amine;hydrochloride.

Molecular Properties

Compound Name6-chloro-N-(3,5-dichlorophenyl)-1H-benzimidazol-2-amine;hydrochloride
PubChem CID24970552
Molecular FormulaC13H9Cl4N3
Molecular Weight349.05 g/mol
Exact Mass346.96
IUPAC Name6-chloro-N-(3,5-dichlorophenyl)-1H-benzimidazol-2-amine;hydrochloride
SMILESCl.Clc1cc(Cl)cc(Nc2nc3ccc(Cl)cc3[nH]2)c1
InChIInChI=1S/C13H8Cl3N3.ClH/c14-7-1-2-11-12(6-7)19-13(18-11)17-10-4-8(15)3-9(16)5-10;/h1-6H,(H2,17,18,19);1H
InChIKeyKSMLRRNPDIIKRW-UHFFFAOYSA-N
XLogP5.69
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.05
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-chloro-N-(3,5-dichlorophenyl)-1H-benzimidazol-2-amine;hydrochloride 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

2-Aminobenzimidazole
CID 13624
1H-Benzimidazol-2-amine, 6-chloro-
CID 21527
5-Chloro-2-methylbenzimidazole
CID 76063
5-chloro-1H-benzimidazole
CID 78599
5,6-Dichloro-1H-benzimidazole
CID 331775
Chlorflurazole
CID 19232
Chlorfenazole
CID 77123
5,6-Dichloro-2-(trifluoromethyl)-1H-benzimidazole
CID 16859
2-Guanidinobenzimidazole
CID 36149
2-Chlorobenzimidazole
CID 78572
2-(1H-1,3-Benzodiazol-2-YL)-4-chloroaniline
CID 318088
6-Chloro-1H-benzimidazole-2-methanol
CID 23383

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3,5-dichlorophenyl)-1H-benzimidazol-2-amine;hydrochloride?
The IUPAC name of 6-chloro-N-(3,5-dichlorophenyl)-1H-benzimidazol-2-amine;hydrochloride (CID 24970552) is 6-chloro-N-(3,5-dichlorophenyl)-1H-benzimidazol-2-amine;hydrochloride.
What is the SMILES notation for 6-chloro-N-(3,5-dichlorophenyl)-1H-benzimidazol-2-amine;hydrochloride?
The canonical SMILES for 6-chloro-N-(3,5-dichlorophenyl)-1H-benzimidazol-2-amine;hydrochloride is Cl.Clc1cc(Cl)cc(Nc2nc3ccc(Cl)cc3[nH]2)c1.
What is the InChIKey of 6-chloro-N-(3,5-dichlorophenyl)-1H-benzimidazol-2-amine;hydrochloride?
The InChIKey is KSMLRRNPDIIKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3N3.ClH/c14-7-1-2-11-12(6-7)19-13(18-11)17-10-4-8(15)3-9(16)5-10;/h1-6H,(H2,17,18,19);1H.
What are the key properties of 6-chloro-N-(3,5-dichlorophenyl)-1H-benzimidazol-2-amine;hydrochloride?
6-chloro-N-(3,5-dichlorophenyl)-1H-benzimidazol-2-amine;hydrochloride has a molecular weight of 349.05 g/mol, XLogP of 5.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3,5-dichlorophenyl)-1H-benzimidazol-2-amine;hydrochloride is sourced from PubChem (CID 24970552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).