3-[(4-bromophenyl)methyl]-6-(trifluoromethyl)-1,2-dihydrobenzimidazole

C15H12BrF3N2 — CID 141432339

IUPAC3-[(4-bromophenyl)methyl]-6-(trifluoromethyl)-1,2-dihydrobenzimidazole
SMILESFC(F)(F)c1ccc2c(c1)NCN2Cc1ccc(Br)cc1
InChIInChI=1S/C15H12BrF3N2/c16-12-4-1-10(2-5-12)8-21-9-20-13-7-11(15(17,18)19)3-6-14(13)21/h1-7,20H,8-9H2
InChIKeyJVYKFUHBQJHJRB-UHFFFAOYSA-N
MW357.17 g/mol
LogP4.86
Rot. Bonds2

About 3-[(4-bromophenyl)methyl]-6-(trifluoromethyl)-1,2-dihydrobenzimidazole

3-[(4-bromophenyl)methyl]-6-(trifluoromethyl)-1,2-dihydrobenzimidazole (PubChem CID 141432339) has the molecular formula C15H12BrF3N2 and a molecular weight of 357.17 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methyl]-6-(trifluoromethyl)-1,2-dihydrobenzimidazole.

Molecular Properties

Compound Name3-[(4-bromophenyl)methyl]-6-(trifluoromethyl)-1,2-dihydrobenzimidazole
PubChem CID141432339
Molecular FormulaC15H12BrF3N2
Molecular Weight357.17 g/mol
Exact Mass356.01
IUPAC Name3-[(4-bromophenyl)methyl]-6-(trifluoromethyl)-1,2-dihydrobenzimidazole
SMILESFC(F)(F)c1ccc2c(c1)NCN2Cc1ccc(Br)cc1
InChIInChI=1S/C15H12BrF3N2/c16-12-4-1-10(2-5-12)8-21-9-20-13-7-11(15(17,18)19)3-6-14(13)21/h1-7,20H,8-9H2
InChIKeyJVYKFUHBQJHJRB-UHFFFAOYSA-N
XLogP4.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.17
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methyl]-6-(trifluoromethyl)-1,2-dihydrobenzimidazole?
The IUPAC name of 3-[(4-bromophenyl)methyl]-6-(trifluoromethyl)-1,2-dihydrobenzimidazole (CID 141432339) is 3-[(4-bromophenyl)methyl]-6-(trifluoromethyl)-1,2-dihydrobenzimidazole.
What is the SMILES notation for 3-[(4-bromophenyl)methyl]-6-(trifluoromethyl)-1,2-dihydrobenzimidazole?
The canonical SMILES for 3-[(4-bromophenyl)methyl]-6-(trifluoromethyl)-1,2-dihydrobenzimidazole is FC(F)(F)c1ccc2c(c1)NCN2Cc1ccc(Br)cc1.
What is the InChIKey of 3-[(4-bromophenyl)methyl]-6-(trifluoromethyl)-1,2-dihydrobenzimidazole?
The InChIKey is JVYKFUHBQJHJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF3N2/c16-12-4-1-10(2-5-12)8-21-9-20-13-7-11(15(17,18)19)3-6-14(13)21/h1-7,20H,8-9H2.
What are the key properties of 3-[(4-bromophenyl)methyl]-6-(trifluoromethyl)-1,2-dihydrobenzimidazole?
3-[(4-bromophenyl)methyl]-6-(trifluoromethyl)-1,2-dihydrobenzimidazole has a molecular weight of 357.17 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methyl]-6-(trifluoromethyl)-1,2-dihydrobenzimidazole is sourced from PubChem (CID 141432339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).