5-bromo-2-methyl-4-(trifluoromethyl)-1H-benzimidazole

C9H6BrF3N2 — CID 167273915

IUPAC5-bromo-2-methyl-4-(trifluoromethyl)-1H-benzimidazole
SMILESCc1nc2c(C(F)(F)F)c(Br)ccc2[nH]1
InChIInChI=1S/C9H6BrF3N2/c1-4-14-6-3-2-5(10)7(8(6)15-4)9(11,12)13/h2-3H,1H3,(H,14,15)
InChIKeyMBIJBGHQMNURPT-UHFFFAOYSA-N
MW279.06 g/mol
LogP3.65
Rot. Bonds

About 5-bromo-2-methyl-4-(trifluoromethyl)-1H-benzimidazole

5-bromo-2-methyl-4-(trifluoromethyl)-1H-benzimidazole (PubChem CID 167273915) has the molecular formula C9H6BrF3N2 and a molecular weight of 279.06 g/mol. Its IUPAC name is 5-bromo-2-methyl-4-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name5-bromo-2-methyl-4-(trifluoromethyl)-1H-benzimidazole
PubChem CID167273915
Molecular FormulaC9H6BrF3N2
Molecular Weight279.06 g/mol
Exact Mass277.97
IUPAC Name5-bromo-2-methyl-4-(trifluoromethyl)-1H-benzimidazole
SMILESCc1nc2c(C(F)(F)F)c(Br)ccc2[nH]1
InChIInChI=1S/C9H6BrF3N2/c1-4-14-6-3-2-5(10)7(8(6)15-4)9(11,12)13/h2-3H,1H3,(H,14,15)
InChIKeyMBIJBGHQMNURPT-UHFFFAOYSA-N
XLogP3.65
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.06
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-4-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 5-bromo-2-methyl-4-(trifluoromethyl)-1H-benzimidazole (CID 167273915) is 5-bromo-2-methyl-4-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 5-bromo-2-methyl-4-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 5-bromo-2-methyl-4-(trifluoromethyl)-1H-benzimidazole is Cc1nc2c(C(F)(F)F)c(Br)ccc2[nH]1.
What is the InChIKey of 5-bromo-2-methyl-4-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is MBIJBGHQMNURPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrF3N2/c1-4-14-6-3-2-5(10)7(8(6)15-4)9(11,12)13/h2-3H,1H3,(H,14,15).
What are the key properties of 5-bromo-2-methyl-4-(trifluoromethyl)-1H-benzimidazole?
5-bromo-2-methyl-4-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 279.06 g/mol, XLogP of 3.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-4-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 167273915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).