4,7-dichloro-2-(3,4-dichlorophenyl)-1H-benzimidazole

C13H6Cl4N2 — CID 95909549

IUPAC4,7-dichloro-2-(3,4-dichlorophenyl)-1H-benzimidazole
SMILESClc1ccc(-c2nc3c(Cl)ccc(Cl)c3[nH]2)cc1Cl
InChIInChI=1S/C13H6Cl4N2/c14-7-2-1-6(5-10(7)17)13-18-11-8(15)3-4-9(16)12(11)19-13/h1-5H,(H,18,19)
InChIKeyVYSRUDMPTXXWAL-UHFFFAOYSA-N
MW332.02 g/mol
LogP5.84
Rot. Bonds1

About 4,7-dichloro-2-(3,4-dichlorophenyl)-1H-benzimidazole

4,7-dichloro-2-(3,4-dichlorophenyl)-1H-benzimidazole (PubChem CID 95909549) has the molecular formula C13H6Cl4N2 and a molecular weight of 332.02 g/mol. Its IUPAC name is 4,7-dichloro-2-(3,4-dichlorophenyl)-1H-benzimidazole.

Molecular Properties

Compound Name4,7-dichloro-2-(3,4-dichlorophenyl)-1H-benzimidazole
PubChem CID95909549
Molecular FormulaC13H6Cl4N2
Molecular Weight332.02 g/mol
Exact Mass329.93
IUPAC Name4,7-dichloro-2-(3,4-dichlorophenyl)-1H-benzimidazole
SMILESClc1ccc(-c2nc3c(Cl)ccc(Cl)c3[nH]2)cc1Cl
InChIInChI=1S/C13H6Cl4N2/c14-7-2-1-6(5-10(7)17)13-18-11-8(15)3-4-9(16)12(11)19-13/h1-5H,(H,18,19)
InChIKeyVYSRUDMPTXXWAL-UHFFFAOYSA-N
XLogP5.84
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.02
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,7-dichloro-2-(3,5-dimethylphenyl)-1H-benzimidazole
CID 95909526
2,3-dichloro-5-(4,7-dichloro-1H-benzimidazol-2-yl)aniline
CID 95909567
2-(3,4-dichlorophenyl)-4,6-dimethyl-1H-benzimidazole
CID 56773183
7-chloro-2-(3,4-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid
CID 91686797
4,5-bis(4-chlorophenyl)-2-(3,4-dichlorophenyl)-1H-imidazole
CID 134119534
4-chloro-2-(3-chloro-4-methylphenyl)-1H-benzimidazole
CID 28690834
7-bromo-2-(3,4-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid
CID 91686806
methyl 2-(3,4-dichlorophenyl)-1H-benzimidazole-4-carboxylate
CID 115357533
5-bromo-2-(3,4-dichlorophenyl)-1H-imidazole-4-carboxylic acid
CID 84610421
2-(3-chloro-4-methylphenyl)-4-methyl-1H-benzimidazole
CID 64722904
2-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477135
5-(3,4-dichlorophenyl)-1H-1,2,4-triazole
CID 58503677

Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-2-(3,4-dichlorophenyl)-1H-benzimidazole?
The IUPAC name of 4,7-dichloro-2-(3,4-dichlorophenyl)-1H-benzimidazole (CID 95909549) is 4,7-dichloro-2-(3,4-dichlorophenyl)-1H-benzimidazole.
What is the SMILES notation for 4,7-dichloro-2-(3,4-dichlorophenyl)-1H-benzimidazole?
The canonical SMILES for 4,7-dichloro-2-(3,4-dichlorophenyl)-1H-benzimidazole is Clc1ccc(-c2nc3c(Cl)ccc(Cl)c3[nH]2)cc1Cl.
What is the InChIKey of 4,7-dichloro-2-(3,4-dichlorophenyl)-1H-benzimidazole?
The InChIKey is VYSRUDMPTXXWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl4N2/c14-7-2-1-6(5-10(7)17)13-18-11-8(15)3-4-9(16)12(11)19-13/h1-5H,(H,18,19).
What are the key properties of 4,7-dichloro-2-(3,4-dichlorophenyl)-1H-benzimidazole?
4,7-dichloro-2-(3,4-dichlorophenyl)-1H-benzimidazole has a molecular weight of 332.02 g/mol, XLogP of 5.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-2-(3,4-dichlorophenyl)-1H-benzimidazole is sourced from PubChem (CID 95909549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).