6-bromo-2-(3-bromo-5-chlorophenyl)-4-methyl-1H-benzimidazole

C14H9Br2ClN2 — CID 107939548

IUPAC6-bromo-2-(3-bromo-5-chlorophenyl)-4-methyl-1H-benzimidazole
SMILESCc1cc(Br)cc2[nH]c(-c3cc(Cl)cc(Br)c3)nc12
InChIInChI=1S/C14H9Br2ClN2/c1-7-2-9(15)6-12-13(7)19-14(18-12)8-3-10(16)5-11(17)4-8/h2-6H,1H3,(H,18,19)
InChIKeyFITSEMSGZDNUCE-UHFFFAOYSA-N
MW400.50 g/mol
LogP5.72
Rot. Bonds1

About 6-bromo-2-(3-bromo-5-chlorophenyl)-4-methyl-1H-benzimidazole

6-bromo-2-(3-bromo-5-chlorophenyl)-4-methyl-1H-benzimidazole (PubChem CID 107939548) has the molecular formula C14H9Br2ClN2 and a molecular weight of 400.50 g/mol. Its IUPAC name is 6-bromo-2-(3-bromo-5-chlorophenyl)-4-methyl-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(3-bromo-5-chlorophenyl)-4-methyl-1H-benzimidazole
PubChem CID107939548
Molecular FormulaC14H9Br2ClN2
Molecular Weight400.50 g/mol
Exact Mass397.88
IUPAC Name6-bromo-2-(3-bromo-5-chlorophenyl)-4-methyl-1H-benzimidazole
SMILESCc1cc(Br)cc2[nH]c(-c3cc(Cl)cc(Br)c3)nc12
InChIInChI=1S/C14H9Br2ClN2/c1-7-2-9(15)6-12-13(7)19-14(18-12)8-3-10(16)5-11(17)4-8/h2-6H,1H3,(H,18,19)
InChIKeyFITSEMSGZDNUCE-UHFFFAOYSA-N
XLogP5.72
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.50
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromo-2-(5-bromo-3-pyridinyl)-4-methyl-1H-benzimidazole
CID 104574633
6-bromo-2-(5-chloro-2-fluorophenyl)-4-methyl-1H-benzimidazole
CID 104574371
3-bromo-5-(4,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 82947637
4-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-2-methylphenol
CID 136751466
6-bromo-2-(2-chlorophenyl)-4-methyl-1H-benzimidazole
CID 104574445
6-bromo-4-methyl-2-naphthalen-2-yl-1H-benzimidazole
CID 104574503
2-bromo-5-(6-bromo-4-methyl-1H-benzimidazol-2-yl)aniline
CID 107812850
6-bromo-2-(4-bromo-3-fluorophenyl)-4-methyl-1H-benzimidazole
CID 104574555
6-bromo-2-[3-(chloromethyl)phenyl]-4-methyl-1H-benzimidazole
CID 113428428
5-(6-bromo-4-methyl-1H-benzimidazol-2-yl)pyridin-2-amine
CID 104574243
3-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
CID 104574178
6-bromo-2-(3,4-dimethoxyphenyl)-4-methyl-1H-benzimidazole
CID 104574626

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(3-bromo-5-chlorophenyl)-4-methyl-1H-benzimidazole?
The IUPAC name of 6-bromo-2-(3-bromo-5-chlorophenyl)-4-methyl-1H-benzimidazole (CID 107939548) is 6-bromo-2-(3-bromo-5-chlorophenyl)-4-methyl-1H-benzimidazole.
What is the SMILES notation for 6-bromo-2-(3-bromo-5-chlorophenyl)-4-methyl-1H-benzimidazole?
The canonical SMILES for 6-bromo-2-(3-bromo-5-chlorophenyl)-4-methyl-1H-benzimidazole is Cc1cc(Br)cc2[nH]c(-c3cc(Cl)cc(Br)c3)nc12.
What is the InChIKey of 6-bromo-2-(3-bromo-5-chlorophenyl)-4-methyl-1H-benzimidazole?
The InChIKey is FITSEMSGZDNUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2ClN2/c1-7-2-9(15)6-12-13(7)19-14(18-12)8-3-10(16)5-11(17)4-8/h2-6H,1H3,(H,18,19).
What are the key properties of 6-bromo-2-(3-bromo-5-chlorophenyl)-4-methyl-1H-benzimidazole?
6-bromo-2-(3-bromo-5-chlorophenyl)-4-methyl-1H-benzimidazole has a molecular weight of 400.50 g/mol, XLogP of 5.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(3-bromo-5-chlorophenyl)-4-methyl-1H-benzimidazole is sourced from PubChem (CID 107939548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).