6-bromo-2-(2-chlorophenyl)-4-methyl-1H-benzimidazole

C14H10BrClN2 — CID 104574445

IUPAC6-bromo-2-(2-chlorophenyl)-4-methyl-1H-benzimidazole
SMILESCc1cc(Br)cc2[nH]c(-c3ccccc3Cl)nc12
InChIInChI=1S/C14H10BrClN2/c1-8-6-9(15)7-12-13(8)18-14(17-12)10-4-2-3-5-11(10)16/h2-7H,1H3,(H,17,18)
InChIKeyIYOPNPFEFDJSIO-UHFFFAOYSA-N
MW321.61 g/mol
LogP4.95
Rot. Bonds1

About 6-bromo-2-(2-chlorophenyl)-4-methyl-1H-benzimidazole

6-bromo-2-(2-chlorophenyl)-4-methyl-1H-benzimidazole (PubChem CID 104574445) has the molecular formula C14H10BrClN2 and a molecular weight of 321.61 g/mol. Its IUPAC name is 6-bromo-2-(2-chlorophenyl)-4-methyl-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(2-chlorophenyl)-4-methyl-1H-benzimidazole
PubChem CID104574445
Molecular FormulaC14H10BrClN2
Molecular Weight321.61 g/mol
Exact Mass319.97
IUPAC Name6-bromo-2-(2-chlorophenyl)-4-methyl-1H-benzimidazole
SMILESCc1cc(Br)cc2[nH]c(-c3ccccc3Cl)nc12
InChIInChI=1S/C14H10BrClN2/c1-8-6-9(15)7-12-13(8)18-14(17-12)10-4-2-3-5-11(10)16/h2-7H,1H3,(H,17,18)
InChIKeyIYOPNPFEFDJSIO-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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Related Compounds

4,6-dibromo-2-(2-chlorophenyl)-1H-benzimidazole
CID 91686412
6-bromo-2-(5-chloro-2-fluorophenyl)-4-methyl-1H-benzimidazole
CID 104574371
6-bromo-2-(5-fluoro-2-methylphenyl)-4-methyl-1H-benzimidazole
CID 104574515
6-bromo-2-(2-chlorophenyl)-1H-benzimidazole
CID 64723542
6-bromo-4-methyl-2-naphthalen-2-yl-1H-benzimidazole
CID 104574503
2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-6-methoxyphenol
CID 136727868
6-bromo-2-(3-bromo-5-chlorophenyl)-4-methyl-1H-benzimidazole
CID 107939548
4-chloro-2-(2-chlorophenyl)-6-methoxy-1H-benzimidazole
CID 91686434
6-bromo-4-chloro-2-(4-methylphenyl)-1H-benzimidazole
CID 91686337
6-bromo-4-methyl-2-(3-methyl-2-pyridinyl)-1H-benzimidazole
CID 113428441
4-(6-bromo-4-chloro-1H-benzimidazol-2-yl)-3-chloroaniline
CID 91686539
6-bromo-2-[3-(chloromethyl)phenyl]-4-methyl-1H-benzimidazole
CID 113428428

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-chlorophenyl)-4-methyl-1H-benzimidazole?
The IUPAC name of 6-bromo-2-(2-chlorophenyl)-4-methyl-1H-benzimidazole (CID 104574445) is 6-bromo-2-(2-chlorophenyl)-4-methyl-1H-benzimidazole.
What is the SMILES notation for 6-bromo-2-(2-chlorophenyl)-4-methyl-1H-benzimidazole?
The canonical SMILES for 6-bromo-2-(2-chlorophenyl)-4-methyl-1H-benzimidazole is Cc1cc(Br)cc2[nH]c(-c3ccccc3Cl)nc12.
What is the InChIKey of 6-bromo-2-(2-chlorophenyl)-4-methyl-1H-benzimidazole?
The InChIKey is IYOPNPFEFDJSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2/c1-8-6-9(15)7-12-13(8)18-14(17-12)10-4-2-3-5-11(10)16/h2-7H,1H3,(H,17,18).
What are the key properties of 6-bromo-2-(2-chlorophenyl)-4-methyl-1H-benzimidazole?
6-bromo-2-(2-chlorophenyl)-4-methyl-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-2-(2-chlorophenyl)-4-methyl-1H-benzimidazole is sourced from PubChem (CID 104574445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).