6-chloro-2-(3,5-dichlorophenyl)-1H-benzimidazole

C13H7Cl3N2 — CID 64722696

IUPAC6-chloro-2-(3,5-dichlorophenyl)-1H-benzimidazole
SMILESClc1cc(Cl)cc(-c2nc3ccc(Cl)cc3[nH]2)c1
InChIInChI=1S/C13H7Cl3N2/c14-8-1-2-11-12(6-8)18-13(17-11)7-3-9(15)5-10(16)4-7/h1-6H,(H,17,18)
InChIKeyOQEKDKMIAOWSHA-UHFFFAOYSA-N
MW297.57 g/mol
LogP5.19
Rot. Bonds1

About 6-chloro-2-(3,5-dichlorophenyl)-1H-benzimidazole

6-chloro-2-(3,5-dichlorophenyl)-1H-benzimidazole (PubChem CID 64722696) has the molecular formula C13H7Cl3N2 and a molecular weight of 297.57 g/mol. Its IUPAC name is 6-chloro-2-(3,5-dichlorophenyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(3,5-dichlorophenyl)-1H-benzimidazole
PubChem CID64722696
Molecular FormulaC13H7Cl3N2
Molecular Weight297.57 g/mol
Exact Mass295.97
IUPAC Name6-chloro-2-(3,5-dichlorophenyl)-1H-benzimidazole
SMILESClc1cc(Cl)cc(-c2nc3ccc(Cl)cc3[nH]2)c1
InChIInChI=1S/C13H7Cl3N2/c14-8-1-2-11-12(6-8)18-13(17-11)7-3-9(15)5-10(16)4-7/h1-6H,(H,17,18)
InChIKeyOQEKDKMIAOWSHA-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

2-(3,5-dichlorophenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455237
[2-(3,5-dichlorophenyl)-3H-benzimidazol-5-yl]methanamine
CID 79004447
2-(4-tert-butylphenyl)-6-chloro-1H-benzimidazole
CID 60646324
2-(3-bromophenyl)-6-chloro-1H-benzimidazole
CID 60646428
6-chloro-2-(2,4-dichlorophenyl)-1H-benzimidazole
CID 60646513
6-chloro-2-(5-fluoro-3-pyridinyl)-1H-benzimidazole
CID 104786095
6-chloro-2-[4-[2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]ethoxy]phenyl]-1H-benzimidazole
CID 25255675
3-(6-chloro-1H-benzimidazol-2-yl)quinoline
CID 141307841
2-bromo-4-(6-chloro-1H-benzimidazol-2-yl)phenol
CID 136837284
6-chloro-2-(1-ethylpyridin-1-ium-4-yl)-1H-benzimidazole iodide
CID 102552286
6-chloro-2-(furan-2-yl)-1H-benzimidazole
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4-(6-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol
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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3,5-dichlorophenyl)-1H-benzimidazole?
The IUPAC name of 6-chloro-2-(3,5-dichlorophenyl)-1H-benzimidazole (CID 64722696) is 6-chloro-2-(3,5-dichlorophenyl)-1H-benzimidazole.
What is the SMILES notation for 6-chloro-2-(3,5-dichlorophenyl)-1H-benzimidazole?
The canonical SMILES for 6-chloro-2-(3,5-dichlorophenyl)-1H-benzimidazole is Clc1cc(Cl)cc(-c2nc3ccc(Cl)cc3[nH]2)c1.
What is the InChIKey of 6-chloro-2-(3,5-dichlorophenyl)-1H-benzimidazole?
The InChIKey is OQEKDKMIAOWSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3N2/c14-8-1-2-11-12(6-8)18-13(17-11)7-3-9(15)5-10(16)4-7/h1-6H,(H,17,18).
What are the key properties of 6-chloro-2-(3,5-dichlorophenyl)-1H-benzimidazole?
6-chloro-2-(3,5-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-(3,5-dichlorophenyl)-1H-benzimidazole is sourced from PubChem (CID 64722696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).