4-chloro-2-(3-chloro-4-methylphenyl)-1H-benzimidazole

C14H10Cl2N2 — CID 28690834

IUPAC4-chloro-2-(3-chloro-4-methylphenyl)-1H-benzimidazole
SMILESCc1ccc(-c2nc3c(Cl)cccc3[nH]2)cc1Cl
InChIInChI=1S/C14H10Cl2N2/c1-8-5-6-9(7-11(8)16)14-17-12-4-2-3-10(15)13(12)18-14/h2-7H,1H3,(H,17,18)
InChIKeyFZFLRMUERDXOGO-UHFFFAOYSA-N
MW277.15 g/mol
LogP4.85
Rot. Bonds1

About 4-chloro-2-(3-chloro-4-methylphenyl)-1H-benzimidazole

4-chloro-2-(3-chloro-4-methylphenyl)-1H-benzimidazole (PubChem CID 28690834) has the molecular formula C14H10Cl2N2 and a molecular weight of 277.15 g/mol. Its IUPAC name is 4-chloro-2-(3-chloro-4-methylphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name4-chloro-2-(3-chloro-4-methylphenyl)-1H-benzimidazole
PubChem CID28690834
Molecular FormulaC14H10Cl2N2
Molecular Weight277.15 g/mol
Exact Mass276.02
IUPAC Name4-chloro-2-(3-chloro-4-methylphenyl)-1H-benzimidazole
SMILESCc1ccc(-c2nc3c(Cl)cccc3[nH]2)cc1Cl
InChIInChI=1S/C14H10Cl2N2/c1-8-5-6-9(7-11(8)16)14-17-12-4-2-3-10(15)13(12)18-14/h2-7H,1H3,(H,17,18)
InChIKeyFZFLRMUERDXOGO-UHFFFAOYSA-N
XLogP4.85
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-4-methylphenyl)-4-methyl-1H-benzimidazole
CID 64722904
4-chloro-2-(2,5-dimethylphenyl)-1H-benzimidazole
CID 64723918
4-chloro-2-(4-iodophenyl)-1H-benzimidazole
CID 28690808
4-chloro-2-pyrimidin-5-yl-1H-benzimidazole
CID 102922109
4-bromo-2-(3-chloro-4-methylphenyl)-6-methoxy-1H-benzimidazole
CID 91686479
2-(3,4-dichlorophenyl)-4,6-dimethyl-1H-benzimidazole
CID 56773183
4-chloro-2-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazole
CID 60978264
5-(4-chloro-1H-benzimidazol-2-yl)pyridin-3-ol
CID 63851002
methyl 2-(3,4-dichlorophenyl)-1H-benzimidazole-4-carboxylate
CID 115357533
2-(3-chloro-4-iodophenyl)-4-fluoro-1H-benzimidazole
CID 103222483
2-(3-chloro-4-iodophenyl)-4-methylsulfonyl-1H-benzimidazole
CID 103222497
2-(3-bromo-4-chlorophenyl)-1H-benzimidazole-4-carboxylic acid
CID 107989442

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-chloro-4-methylphenyl)-1H-benzimidazole?
The IUPAC name of 4-chloro-2-(3-chloro-4-methylphenyl)-1H-benzimidazole (CID 28690834) is 4-chloro-2-(3-chloro-4-methylphenyl)-1H-benzimidazole.
What is the SMILES notation for 4-chloro-2-(3-chloro-4-methylphenyl)-1H-benzimidazole?
The canonical SMILES for 4-chloro-2-(3-chloro-4-methylphenyl)-1H-benzimidazole is Cc1ccc(-c2nc3c(Cl)cccc3[nH]2)cc1Cl.
What is the InChIKey of 4-chloro-2-(3-chloro-4-methylphenyl)-1H-benzimidazole?
The InChIKey is FZFLRMUERDXOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2/c1-8-5-6-9(7-11(8)16)14-17-12-4-2-3-10(15)13(12)18-14/h2-7H,1H3,(H,17,18).
What are the key properties of 4-chloro-2-(3-chloro-4-methylphenyl)-1H-benzimidazole?
4-chloro-2-(3-chloro-4-methylphenyl)-1H-benzimidazole has a molecular weight of 277.15 g/mol, XLogP of 4.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-chloro-4-methylphenyl)-1H-benzimidazole is sourced from PubChem (CID 28690834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).