6-chloro-2-[(4-chlorophenyl)methyl]-1H-benzimidazole

C14H10Cl2N2 — CID 14145021

IUPAC6-chloro-2-[(4-chlorophenyl)methyl]-1H-benzimidazole
SMILESClc1ccc(Cc2nc3ccc(Cl)cc3[nH]2)cc1
InChIInChI=1S/C14H10Cl2N2/c15-10-3-1-9(2-4-10)7-14-17-12-6-5-11(16)8-13(12)18-14/h1-6,8H,7H2,(H,17,18)
InChIKeyZHEWVEUZEXJQTG-UHFFFAOYSA-N
MW277.15 g/mol
LogP4.46
Rot. Bonds2

About 6-chloro-2-[(4-chlorophenyl)methyl]-1H-benzimidazole

6-chloro-2-[(4-chlorophenyl)methyl]-1H-benzimidazole (PubChem CID 14145021) has the molecular formula C14H10Cl2N2 and a molecular weight of 277.15 g/mol. Its IUPAC name is 6-chloro-2-[(4-chlorophenyl)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-2-[(4-chlorophenyl)methyl]-1H-benzimidazole
PubChem CID14145021
Molecular FormulaC14H10Cl2N2
Molecular Weight277.15 g/mol
Exact Mass276.02
IUPAC Name6-chloro-2-[(4-chlorophenyl)methyl]-1H-benzimidazole
SMILESClc1ccc(Cc2nc3ccc(Cl)cc3[nH]2)cc1
InChIInChI=1S/C14H10Cl2N2/c15-10-3-1-9(2-4-10)7-14-17-12-6-5-11(16)8-13(12)18-14/h1-6,8H,7H2,(H,17,18)
InChIKeyZHEWVEUZEXJQTG-UHFFFAOYSA-N
XLogP4.46
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(4-chlorophenyl)methyl]-1H-benzimidazole?
The IUPAC name of 6-chloro-2-[(4-chlorophenyl)methyl]-1H-benzimidazole (CID 14145021) is 6-chloro-2-[(4-chlorophenyl)methyl]-1H-benzimidazole.
What is the SMILES notation for 6-chloro-2-[(4-chlorophenyl)methyl]-1H-benzimidazole?
The canonical SMILES for 6-chloro-2-[(4-chlorophenyl)methyl]-1H-benzimidazole is Clc1ccc(Cc2nc3ccc(Cl)cc3[nH]2)cc1.
What is the InChIKey of 6-chloro-2-[(4-chlorophenyl)methyl]-1H-benzimidazole?
The InChIKey is ZHEWVEUZEXJQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2/c15-10-3-1-9(2-4-10)7-14-17-12-6-5-11(16)8-13(12)18-14/h1-6,8H,7H2,(H,17,18).
What are the key properties of 6-chloro-2-[(4-chlorophenyl)methyl]-1H-benzimidazole?
6-chloro-2-[(4-chlorophenyl)methyl]-1H-benzimidazole has a molecular weight of 277.15 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(4-chlorophenyl)methyl]-1H-benzimidazole is sourced from PubChem (CID 14145021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).