2-N-(3,4-dichlorophenyl)-3H-benzimidazole-2,5-diamine;dihydrochloride

C13H12Cl4N4 — CID 24970676

IUPAC2-N-(3,4-dichlorophenyl)-3H-benzimidazole-2,5-diamine;dihydrochloride
SMILESCl.Cl.Nc1ccc2nc(Nc3ccc(Cl)c(Cl)c3)[nH]c2c1
InChIInChI=1S/C13H10Cl2N4.2ClH/c14-9-3-2-8(6-10(9)15)17-13-18-11-4-1-7(16)5-12(11)19-13;;/h1-6H,16H2,(H2,17,18,19);2*1H
InChIKeyMHIDBSOJSJOLKT-UHFFFAOYSA-N
MW366.08 g/mol
LogP5.04
Rot. Bonds2

About 2-N-(3,4-dichlorophenyl)-3H-benzimidazole-2,5-diamine;dihydrochloride

2-N-(3,4-dichlorophenyl)-3H-benzimidazole-2,5-diamine;dihydrochloride (PubChem CID 24970676) has the molecular formula C13H12Cl4N4 and a molecular weight of 366.08 g/mol. Its IUPAC name is 2-N-(3,4-dichlorophenyl)-3H-benzimidazole-2,5-diamine;dihydrochloride.

Molecular Properties

Compound Name2-N-(3,4-dichlorophenyl)-3H-benzimidazole-2,5-diamine;dihydrochloride
PubChem CID24970676
Molecular FormulaC13H12Cl4N4
Molecular Weight366.08 g/mol
Exact Mass363.98
IUPAC Name2-N-(3,4-dichlorophenyl)-3H-benzimidazole-2,5-diamine;dihydrochloride
SMILESCl.Cl.Nc1ccc2nc(Nc3ccc(Cl)c(Cl)c3)[nH]c2c1
InChIInChI=1S/C13H10Cl2N4.2ClH/c14-9-3-2-8(6-10(9)15)17-13-18-11-4-1-7(16)5-12(11)19-13;;/h1-6H,16H2,(H2,17,18,19);2*1H
InChIKeyMHIDBSOJSJOLKT-UHFFFAOYSA-N
XLogP5.04
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.08
LogP ≤ 55.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,6-dichloro-N-(3,4-dichlorophenyl)-1H-benzimidazol-2-amine
CID 24970680
6-amino-2-(3,4-dichloroanilino)-3H-quinazolin-4-one
CID 136808608
1-N,4-N-bis(6-chloro-1H-benzimidazol-2-yl)benzene-1,4-diamine
CID 14688884
2-N-[3-(dimethylamino)phenyl]-3H-benzimidazole-2,5-diamine
CID 115376072
2-hydrazinyl-3H-benzimidazol-5-amine
CID 83416584
6-chloro-N-(3,5-dichlorophenyl)-1H-benzimidazol-2-amine;hydrochloride
CID 24970552
N-(4-chloro-3-methylphenyl)-1H-benzimidazol-2-amine
CID 126502975
6-amino-2-(4-chloroanilino)-3H-quinazolin-4-one
CID 136808617
6-bromo-N-(4-bromophenyl)-1H-benzimidazol-2-amine
CID 82563483
5,6-dichloro-N-(3-fluoro-1H-indol-6-yl)-1H-benzimidazol-2-amine
CID 164540014
N-(3-chloro-4-methylphenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine
CID 82563255
N-[3-[(6-chloro-1H-benzimidazol-2-yl)amino]phenyl]acetamide
CID 82562667

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-dichlorophenyl)-3H-benzimidazole-2,5-diamine;dihydrochloride?
The IUPAC name of 2-N-(3,4-dichlorophenyl)-3H-benzimidazole-2,5-diamine;dihydrochloride (CID 24970676) is 2-N-(3,4-dichlorophenyl)-3H-benzimidazole-2,5-diamine;dihydrochloride.
What is the SMILES notation for 2-N-(3,4-dichlorophenyl)-3H-benzimidazole-2,5-diamine;dihydrochloride?
The canonical SMILES for 2-N-(3,4-dichlorophenyl)-3H-benzimidazole-2,5-diamine;dihydrochloride is Cl.Cl.Nc1ccc2nc(Nc3ccc(Cl)c(Cl)c3)[nH]c2c1.
What is the InChIKey of 2-N-(3,4-dichlorophenyl)-3H-benzimidazole-2,5-diamine;dihydrochloride?
The InChIKey is MHIDBSOJSJOLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N4.2ClH/c14-9-3-2-8(6-10(9)15)17-13-18-11-4-1-7(16)5-12(11)19-13;;/h1-6H,16H2,(H2,17,18,19);2*1H.
What are the key properties of 2-N-(3,4-dichlorophenyl)-3H-benzimidazole-2,5-diamine;dihydrochloride?
2-N-(3,4-dichlorophenyl)-3H-benzimidazole-2,5-diamine;dihydrochloride has a molecular weight of 366.08 g/mol, XLogP of 5.04, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4-dichlorophenyl)-3H-benzimidazole-2,5-diamine;dihydrochloride is sourced from PubChem (CID 24970676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).