[5-bromo-3-methyl-6-(trifluoromethyl)-1,2-dihydrobenzimidazol-2-yl]methanol

C10H10BrF3N2O — CID 145105759

IUPAC[5-bromo-3-methyl-6-(trifluoromethyl)-1,2-dihydrobenzimidazol-2-yl]methanol
SMILESCN1c2cc(Br)c(C(F)(F)F)cc2NC1CO
InChIInChI=1S/C10H10BrF3N2O/c1-16-8-3-6(11)5(10(12,13)14)2-7(8)15-9(16)4-17/h2-3,9,15,17H,4H2,1H3
InChIKeyQPZFTXSRVMRXAV-UHFFFAOYSA-N
MW311.10 g/mol
LogP2.65
Rot. Bonds1

About [5-bromo-3-methyl-6-(trifluoromethyl)-1,2-dihydrobenzimidazol-2-yl]methanol

[5-bromo-3-methyl-6-(trifluoromethyl)-1,2-dihydrobenzimidazol-2-yl]methanol (PubChem CID 145105759) has the molecular formula C10H10BrF3N2O and a molecular weight of 311.10 g/mol. Its IUPAC name is [5-bromo-3-methyl-6-(trifluoromethyl)-1,2-dihydrobenzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[5-bromo-3-methyl-6-(trifluoromethyl)-1,2-dihydrobenzimidazol-2-yl]methanol
PubChem CID145105759
Molecular FormulaC10H10BrF3N2O
Molecular Weight311.10 g/mol
Exact Mass309.99
IUPAC Name[5-bromo-3-methyl-6-(trifluoromethyl)-1,2-dihydrobenzimidazol-2-yl]methanol
SMILESCN1c2cc(Br)c(C(F)(F)F)cc2NC1CO
InChIInChI=1S/C10H10BrF3N2O/c1-16-8-3-6(11)5(10(12,13)14)2-7(8)15-9(16)4-17/h2-3,9,15,17H,4H2,1H3
InChIKeyQPZFTXSRVMRXAV-UHFFFAOYSA-N
XLogP2.65
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.10
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-bromo-3-methyl-6-(trifluoromethyl)-1,2-dihydrobenzimidazol-2-yl]methanol?
The IUPAC name of [5-bromo-3-methyl-6-(trifluoromethyl)-1,2-dihydrobenzimidazol-2-yl]methanol (CID 145105759) is [5-bromo-3-methyl-6-(trifluoromethyl)-1,2-dihydrobenzimidazol-2-yl]methanol.
What is the SMILES notation for [5-bromo-3-methyl-6-(trifluoromethyl)-1,2-dihydrobenzimidazol-2-yl]methanol?
The canonical SMILES for [5-bromo-3-methyl-6-(trifluoromethyl)-1,2-dihydrobenzimidazol-2-yl]methanol is CN1c2cc(Br)c(C(F)(F)F)cc2NC1CO.
What is the InChIKey of [5-bromo-3-methyl-6-(trifluoromethyl)-1,2-dihydrobenzimidazol-2-yl]methanol?
The InChIKey is QPZFTXSRVMRXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3N2O/c1-16-8-3-6(11)5(10(12,13)14)2-7(8)15-9(16)4-17/h2-3,9,15,17H,4H2,1H3.
What are the key properties of [5-bromo-3-methyl-6-(trifluoromethyl)-1,2-dihydrobenzimidazol-2-yl]methanol?
[5-bromo-3-methyl-6-(trifluoromethyl)-1,2-dihydrobenzimidazol-2-yl]methanol has a molecular weight of 311.10 g/mol, XLogP of 2.65, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-3-methyl-6-(trifluoromethyl)-1,2-dihydrobenzimidazol-2-yl]methanol is sourced from PubChem (CID 145105759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).