2-(5-bromo-3-pyridinyl)-1-methyl-5-(trifluoromethyl)benzimidazole

C14H9BrF3N3 — CID 121458642

IUPAC2-(5-bromo-3-pyridinyl)-1-methyl-5-(trifluoromethyl)benzimidazole
SMILESCn1c(-c2cncc(Br)c2)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C14H9BrF3N3/c1-21-12-3-2-9(14(16,17)18)5-11(12)20-13(21)8-4-10(15)7-19-6-8/h2-7H,1H3
InChIKeyJILPWSCTRGUZLY-UHFFFAOYSA-N
MW356.15 g/mol
LogP4.42
Rot. Bonds1

About 2-(5-bromo-3-pyridinyl)-1-methyl-5-(trifluoromethyl)benzimidazole

2-(5-bromo-3-pyridinyl)-1-methyl-5-(trifluoromethyl)benzimidazole (PubChem CID 121458642) has the molecular formula C14H9BrF3N3 and a molecular weight of 356.15 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-methyl-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-methyl-5-(trifluoromethyl)benzimidazole
PubChem CID121458642
Molecular FormulaC14H9BrF3N3
Molecular Weight356.15 g/mol
Exact Mass354.99
IUPAC Name2-(5-bromo-3-pyridinyl)-1-methyl-5-(trifluoromethyl)benzimidazole
SMILESCn1c(-c2cncc(Br)c2)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C14H9BrF3N3/c1-21-12-3-2-9(14(16,17)18)5-11(12)20-13(21)8-4-10(15)7-19-6-8/h2-7H,1H3
InChIKeyJILPWSCTRGUZLY-UHFFFAOYSA-N
XLogP4.42
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 ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-methyl-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-methyl-5-(trifluoromethyl)benzimidazole (CID 121458642) is 2-(5-bromo-3-pyridinyl)-1-methyl-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-methyl-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-methyl-5-(trifluoromethyl)benzimidazole is Cn1c(-c2cncc(Br)c2)nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-methyl-5-(trifluoromethyl)benzimidazole?
The InChIKey is JILPWSCTRGUZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF3N3/c1-21-12-3-2-9(14(16,17)18)5-11(12)20-13(21)8-4-10(15)7-19-6-8/h2-7H,1H3.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-methyl-5-(trifluoromethyl)benzimidazole?
2-(5-bromo-3-pyridinyl)-1-methyl-5-(trifluoromethyl)benzimidazole has a molecular weight of 356.15 g/mol, XLogP of 4.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-methyl-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 121458642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).