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

C14H12BrN3 — CID 113428441

IUPAC6-bromo-4-methyl-2-(3-methyl-2-pyridinyl)-1H-benzimidazole
SMILESCc1cccnc1-c1nc2c(C)cc(Br)cc2[nH]1
InChIInChI=1S/C14H12BrN3/c1-8-4-3-5-16-13(8)14-17-11-7-10(15)6-9(2)12(11)18-14/h3-7H,1-2H3,(H,17,18)
InChIKeyKBAPAZLBVGAZCL-UHFFFAOYSA-N
MW302.18 g/mol
LogP4.00
Rot. Bonds1

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

6-bromo-4-methyl-2-(3-methyl-2-pyridinyl)-1H-benzimidazole (PubChem CID 113428441) has the molecular formula C14H12BrN3 and a molecular weight of 302.18 g/mol. Its IUPAC name is 6-bromo-4-methyl-2-(3-methyl-2-pyridinyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-4-methyl-2-(3-methyl-2-pyridinyl)-1H-benzimidazole
PubChem CID113428441
Molecular FormulaC14H12BrN3
Molecular Weight302.18 g/mol
Exact Mass301.02
IUPAC Name6-bromo-4-methyl-2-(3-methyl-2-pyridinyl)-1H-benzimidazole
SMILESCc1cccnc1-c1nc2c(C)cc(Br)cc2[nH]1
InChIInChI=1S/C14H12BrN3/c1-8-4-3-5-16-13(8)14-17-11-7-10(15)6-9(2)12(11)18-14/h3-7H,1-2H3,(H,17,18)
InChIKeyKBAPAZLBVGAZCL-UHFFFAOYSA-N
XLogP4.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4,6-dimethyl-1H-benzimidazol-2-yl)pyridin-3-amine
CID 104740767
6-bromo-2-(2-chlorophenyl)-4-methyl-1H-benzimidazole
CID 104574445
6-bromo-4-methyl-2-naphthalen-2-yl-1H-benzimidazole
CID 104574503
6-bromo-2-(5-fluoro-2-methylphenyl)-4-methyl-1H-benzimidazole
CID 104574515
5-(6-bromo-4-methyl-1H-benzimidazol-2-yl)pyridin-2-amine
CID 104574243
6-bromo-2-(5-bromo-3-pyridinyl)-4-methyl-1H-benzimidazole
CID 104574633
4-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-2-methylphenol
CID 136751466
4,6-dibromo-2-(2-pyridin-3-yl-3-pyridinyl)-1H-benzimidazole
CID 91530135
2-(3,5-dibromophenyl)-3-methylpyridine
CID 155769988
6-bromo-2-(3-bromo-5-chlorophenyl)-4-methyl-1H-benzimidazole
CID 107939548
6-bromo-4-methyl-2-(2-pyridin-2-ylethyl)-1H-benzimidazole
CID 104574434
6-bromo-2-[3-(chloromethyl)phenyl]-4-methyl-1H-benzimidazole
CID 113428428

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-methyl-2-(3-methyl-2-pyridinyl)-1H-benzimidazole?
The IUPAC name of 6-bromo-4-methyl-2-(3-methyl-2-pyridinyl)-1H-benzimidazole (CID 113428441) is 6-bromo-4-methyl-2-(3-methyl-2-pyridinyl)-1H-benzimidazole.
What is the SMILES notation for 6-bromo-4-methyl-2-(3-methyl-2-pyridinyl)-1H-benzimidazole?
The canonical SMILES for 6-bromo-4-methyl-2-(3-methyl-2-pyridinyl)-1H-benzimidazole is Cc1cccnc1-c1nc2c(C)cc(Br)cc2[nH]1.
What is the InChIKey of 6-bromo-4-methyl-2-(3-methyl-2-pyridinyl)-1H-benzimidazole?
The InChIKey is KBAPAZLBVGAZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3/c1-8-4-3-5-16-13(8)14-17-11-7-10(15)6-9(2)12(11)18-14/h3-7H,1-2H3,(H,17,18).
What are the key properties of 6-bromo-4-methyl-2-(3-methyl-2-pyridinyl)-1H-benzimidazole?
6-bromo-4-methyl-2-(3-methyl-2-pyridinyl)-1H-benzimidazole has a molecular weight of 302.18 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-methyl-2-(3-methyl-2-pyridinyl)-1H-benzimidazole is sourced from PubChem (CID 113428441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).