6-chloro-2-(2,4-dichlorophenyl)-1H-benzimidazole

C13H7Cl3N2 — CID 60646513

IUPAC6-chloro-2-(2,4-dichlorophenyl)-1H-benzimidazole
SMILESClc1ccc(-c2nc3ccc(Cl)cc3[nH]2)c(Cl)c1
InChIInChI=1S/C13H7Cl3N2/c14-7-1-3-9(10(16)5-7)13-17-11-4-2-8(15)6-12(11)18-13/h1-6H,(H,17,18)
InChIKeyKWBNAVOHQGGKRR-UHFFFAOYSA-N
MW297.57 g/mol
LogP5.19
Rot. Bonds1

About 6-chloro-2-(2,4-dichlorophenyl)-1H-benzimidazole

6-chloro-2-(2,4-dichlorophenyl)-1H-benzimidazole (PubChem CID 60646513) has the molecular formula C13H7Cl3N2 and a molecular weight of 297.57 g/mol. Its IUPAC name is 6-chloro-2-(2,4-dichlorophenyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(2,4-dichlorophenyl)-1H-benzimidazole
PubChem CID60646513
Molecular FormulaC13H7Cl3N2
Molecular Weight297.57 g/mol
Exact Mass295.97
IUPAC Name6-chloro-2-(2,4-dichlorophenyl)-1H-benzimidazole
SMILESClc1ccc(-c2nc3ccc(Cl)cc3[nH]2)c(Cl)c1
InChIInChI=1S/C13H7Cl3N2/c14-7-1-3-9(10(16)5-7)13-17-11-4-2-8(15)6-12(11)18-13/h1-6H,(H,17,18)
InChIKeyKWBNAVOHQGGKRR-UHFFFAOYSA-N
XLogP5.19
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.57
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(6-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol
CID 136903703
6-chloro-2-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazole
CID 60975061
6-chloro-2-(3,5-dichlorophenyl)-1H-benzimidazole
CID 64722696
4-chloro-2-(6-chloro-1H-benzimidazol-2-yl)-N-methylaniline
CID 139915272
N-[2-(2,4-dichlorophenyl)-3H-benzimidazol-5-yl]-1-(furan-2-yl)methanimine
CID 1377130
3-(1H-benzimidazol-2-yl)-2-(2,4-dichlorophenyl)quinoline
CID 71230104
2-(2,5-dichlorophenyl)-3H-benzimidazole-5-carbonitrile
CID 79004183
2-(6-chloro-1H-benzimidazol-2-yl)-6-methylphenol
CID 135988298
[2-(2,5-dichlorophenyl)-3H-benzimidazol-5-yl]methanamine
CID 79004389
2-(4-chloro-2-fluorophenyl)-6-methoxy-1H-benzimidazole
CID 65018051
6-chloro-2-(2,5-dimethoxyphenyl)-1H-benzimidazole
CID 60646512
2-(4-tert-butylphenyl)-6-chloro-1H-benzimidazole
CID 60646324

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2,4-dichlorophenyl)-1H-benzimidazole?
The IUPAC name of 6-chloro-2-(2,4-dichlorophenyl)-1H-benzimidazole (CID 60646513) is 6-chloro-2-(2,4-dichlorophenyl)-1H-benzimidazole.
What is the SMILES notation for 6-chloro-2-(2,4-dichlorophenyl)-1H-benzimidazole?
The canonical SMILES for 6-chloro-2-(2,4-dichlorophenyl)-1H-benzimidazole is Clc1ccc(-c2nc3ccc(Cl)cc3[nH]2)c(Cl)c1.
What is the InChIKey of 6-chloro-2-(2,4-dichlorophenyl)-1H-benzimidazole?
The InChIKey is KWBNAVOHQGGKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3N2/c14-7-1-3-9(10(16)5-7)13-17-11-4-2-8(15)6-12(11)18-13/h1-6H,(H,17,18).
What are the key properties of 6-chloro-2-(2,4-dichlorophenyl)-1H-benzimidazole?
6-chloro-2-(2,4-dichlorophenyl)-1H-benzimidazole has a molecular weight of 297.57 g/mol, XLogP of 5.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2,4-dichlorophenyl)-1H-benzimidazole is sourced from PubChem (CID 60646513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).