6-bromo-4-chloro-2-(4-methylphenyl)-1H-benzimidazole

C14H10BrClN2 — CID 91686337

IUPAC6-bromo-4-chloro-2-(4-methylphenyl)-1H-benzimidazole
SMILESCc1ccc(-c2nc3c(Cl)cc(Br)cc3[nH]2)cc1
InChIInChI=1S/C14H10BrClN2/c1-8-2-4-9(5-3-8)14-17-12-7-10(15)6-11(16)13(12)18-14/h2-7H,1H3,(H,17,18)
InChIKeyYCBYRQCGMRFXGE-UHFFFAOYSA-N
MW321.61 g/mol
LogP4.95
Rot. Bonds1

About 6-bromo-4-chloro-2-(4-methylphenyl)-1H-benzimidazole

6-bromo-4-chloro-2-(4-methylphenyl)-1H-benzimidazole (PubChem CID 91686337) has the molecular formula C14H10BrClN2 and a molecular weight of 321.61 g/mol. Its IUPAC name is 6-bromo-4-chloro-2-(4-methylphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-4-chloro-2-(4-methylphenyl)-1H-benzimidazole
PubChem CID91686337
Molecular FormulaC14H10BrClN2
Molecular Weight321.61 g/mol
Exact Mass319.97
IUPAC Name6-bromo-4-chloro-2-(4-methylphenyl)-1H-benzimidazole
SMILESCc1ccc(-c2nc3c(Cl)cc(Br)cc3[nH]2)cc1
InChIInChI=1S/C14H10BrClN2/c1-8-2-4-9(5-3-8)14-17-12-7-10(15)6-11(16)13(12)18-14/h2-7H,1H3,(H,17,18)
InChIKeyYCBYRQCGMRFXGE-UHFFFAOYSA-N
XLogP4.95
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.61
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-2-(4-methylphenyl)-1H-benzimidazole?
The IUPAC name of 6-bromo-4-chloro-2-(4-methylphenyl)-1H-benzimidazole (CID 91686337) is 6-bromo-4-chloro-2-(4-methylphenyl)-1H-benzimidazole.
What is the SMILES notation for 6-bromo-4-chloro-2-(4-methylphenyl)-1H-benzimidazole?
The canonical SMILES for 6-bromo-4-chloro-2-(4-methylphenyl)-1H-benzimidazole is Cc1ccc(-c2nc3c(Cl)cc(Br)cc3[nH]2)cc1.
What is the InChIKey of 6-bromo-4-chloro-2-(4-methylphenyl)-1H-benzimidazole?
The InChIKey is YCBYRQCGMRFXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2/c1-8-2-4-9(5-3-8)14-17-12-7-10(15)6-11(16)13(12)18-14/h2-7H,1H3,(H,17,18).
What are the key properties of 6-bromo-4-chloro-2-(4-methylphenyl)-1H-benzimidazole?
6-bromo-4-chloro-2-(4-methylphenyl)-1H-benzimidazole has a molecular weight of 321.61 g/mol, XLogP of 4.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloro-2-(4-methylphenyl)-1H-benzimidazole is sourced from PubChem (CID 91686337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).