[1-methyl-2-[4-(trifluoromethoxy)phenyl]benzimidazol-5-yl]methanol

C16H13F3N2O2 — CID 122424190

IUPAC[1-methyl-2-[4-(trifluoromethoxy)phenyl]benzimidazol-5-yl]methanol
SMILESCn1c(-c2ccc(OC(F)(F)F)cc2)nc2cc(CO)ccc21
InChIInChI=1S/C16H13F3N2O2/c1-21-14-7-2-10(9-22)8-13(14)20-15(21)11-3-5-12(6-4-11)23-16(17,18)19/h2-8,22H,9H2,1H3
InChIKeyCLQXJJKTBQTORD-UHFFFAOYSA-N
MW322.29 g/mol
LogP3.63
Rot. Bonds3

About [1-methyl-2-[4-(trifluoromethoxy)phenyl]benzimidazol-5-yl]methanol

[1-methyl-2-[4-(trifluoromethoxy)phenyl]benzimidazol-5-yl]methanol (PubChem CID 122424190) has the molecular formula C16H13F3N2O2 and a molecular weight of 322.29 g/mol. Its IUPAC name is [1-methyl-2-[4-(trifluoromethoxy)phenyl]benzimidazol-5-yl]methanol.

Molecular Properties

Compound Name[1-methyl-2-[4-(trifluoromethoxy)phenyl]benzimidazol-5-yl]methanol
PubChem CID122424190
Molecular FormulaC16H13F3N2O2
Molecular Weight322.29 g/mol
Exact Mass322.09
IUPAC Name[1-methyl-2-[4-(trifluoromethoxy)phenyl]benzimidazol-5-yl]methanol
SMILESCn1c(-c2ccc(OC(F)(F)F)cc2)nc2cc(CO)ccc21
InChIInChI=1S/C16H13F3N2O2/c1-21-14-7-2-10(9-22)8-13(14)20-15(21)11-3-5-12(6-4-11)23-16(17,18)19/h2-8,22H,9H2,1H3
InChIKeyCLQXJJKTBQTORD-UHFFFAOYSA-N
XLogP3.63
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-methyl-2-[4-(trifluoromethoxy)phenyl]benzimidazol-5-yl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-methyl-2-[4-(trifluoromethoxy)phenyl]benzimidazol-5-yl]methanol?
The IUPAC name of [1-methyl-2-[4-(trifluoromethoxy)phenyl]benzimidazol-5-yl]methanol (CID 122424190) is [1-methyl-2-[4-(trifluoromethoxy)phenyl]benzimidazol-5-yl]methanol.
What is the SMILES notation for [1-methyl-2-[4-(trifluoromethoxy)phenyl]benzimidazol-5-yl]methanol?
The canonical SMILES for [1-methyl-2-[4-(trifluoromethoxy)phenyl]benzimidazol-5-yl]methanol is Cn1c(-c2ccc(OC(F)(F)F)cc2)nc2cc(CO)ccc21.
What is the InChIKey of [1-methyl-2-[4-(trifluoromethoxy)phenyl]benzimidazol-5-yl]methanol?
The InChIKey is CLQXJJKTBQTORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O2/c1-21-14-7-2-10(9-22)8-13(14)20-15(21)11-3-5-12(6-4-11)23-16(17,18)19/h2-8,22H,9H2,1H3.
What are the key properties of [1-methyl-2-[4-(trifluoromethoxy)phenyl]benzimidazol-5-yl]methanol?
[1-methyl-2-[4-(trifluoromethoxy)phenyl]benzimidazol-5-yl]methanol has a molecular weight of 322.29 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-2-[4-(trifluoromethoxy)phenyl]benzimidazol-5-yl]methanol is sourced from PubChem (CID 122424190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).