1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-methylbenzimidazole

C14H9BrF3N3 — CID 106797317

IUPAC1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1-c1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H9BrF3N3/c1-8-20-11-4-2-3-5-12(11)21(8)13-10(14(16,17)18)6-9(15)7-19-13/h2-7H,1H3
InChIKeyXZYPYIWCWWUQFQ-UHFFFAOYSA-N
MW356.15 g/mol
LogP4.51
Rot. Bonds1

About 1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-methylbenzimidazole

1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-methylbenzimidazole (PubChem CID 106797317) has the molecular formula C14H9BrF3N3 and a molecular weight of 356.15 g/mol. Its IUPAC name is 1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-methylbenzimidazole.

Molecular Properties

Compound Name1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-methylbenzimidazole
PubChem CID106797317
Molecular FormulaC14H9BrF3N3
Molecular Weight356.15 g/mol
Exact Mass354.99
IUPAC Name1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1-c1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H9BrF3N3/c1-8-20-11-4-2-3-5-12(11)21(8)13-10(14(16,17)18)6-9(15)7-19-13/h2-7H,1H3
InChIKeyXZYPYIWCWWUQFQ-UHFFFAOYSA-N
XLogP4.51
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.15
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-methylbenzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,5-difluoro-2-pyridinyl)-2-methylbenzimidazole
CID 112676678
1-(3-bromo-2-pyridinyl)-2-methylbenzimidazole
CID 79753555
1-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylbenzimidazole
CID 123693539
1-(2-bromophenyl)-2-methylbenzimidazole
CID 168938830
2-(2-methylbenzimidazol-1-yl)quinoxaline
CID 79751969
2-methyl-1-(5-methyl-2-pyridinyl)benzimidazole
CID 79753476
1-(5-bromo-4-methoxypyrimidin-2-yl)-2-methylbenzimidazole
CID 106999991
2-phenyl-1-[5-(2-phenylbenzimidazol-1-yl)-4-(trifluoromethyl)-2-pyridinyl]benzimidazole
CID 134169891
ethane;2-methyl-1-(6-methylpyrimidin-4-yl)benzimidazole
CID 91611201
5-bromo-2-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)pyridine
CID 106797313
[5-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]-2-(trifluoromethyl)phenyl]methanol
CID 118101422
2-methyl-1-(4-methylpyrimidin-2-yl)benzimidazole
CID 79754202

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-methylbenzimidazole?
The IUPAC name of 1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-methylbenzimidazole (CID 106797317) is 1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-methylbenzimidazole.
What is the SMILES notation for 1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-methylbenzimidazole?
The canonical SMILES for 1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-methylbenzimidazole is Cc1nc2ccccc2n1-c1ncc(Br)cc1C(F)(F)F.
What is the InChIKey of 1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-methylbenzimidazole?
The InChIKey is XZYPYIWCWWUQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF3N3/c1-8-20-11-4-2-3-5-12(11)21(8)13-10(14(16,17)18)6-9(15)7-19-13/h2-7H,1H3.
What are the key properties of 1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-methylbenzimidazole?
1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-methylbenzimidazole has a molecular weight of 356.15 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-methylbenzimidazole is sourced from PubChem (CID 106797317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).