3-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(trifluoromethyl)benzimidazol-5-ol

C18H15F3N2O — CID 10382073

IUPAC3-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(trifluoromethyl)benzimidazol-5-ol
SMILESOc1ccc2nc(C(F)(F)F)n(-c3cccc4c3CCCC4)c2c1
InChIInChI=1S/C18H15F3N2O/c19-18(20,21)17-22-14-9-8-12(24)10-16(14)23(17)15-7-3-5-11-4-1-2-6-13(11)15/h3,5,7-10,24H,1-2,4,6H2
InChIKeyCNKWPSSCUBWILA-UHFFFAOYSA-N
MW332.33 g/mol
LogP4.63
Rot. Bonds1

About 3-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(trifluoromethyl)benzimidazol-5-ol

3-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(trifluoromethyl)benzimidazol-5-ol (PubChem CID 10382073) has the molecular formula C18H15F3N2O and a molecular weight of 332.33 g/mol. Its IUPAC name is 3-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(trifluoromethyl)benzimidazol-5-ol.

Molecular Properties

Compound Name3-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(trifluoromethyl)benzimidazol-5-ol
PubChem CID10382073
Molecular FormulaC18H15F3N2O
Molecular Weight332.33 g/mol
Exact Mass332.11
IUPAC Name3-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(trifluoromethyl)benzimidazol-5-ol
SMILESOc1ccc2nc(C(F)(F)F)n(-c3cccc4c3CCCC4)c2c1
InChIInChI=1S/C18H15F3N2O/c19-18(20,21)17-22-14-9-8-12(24)10-16(14)23(17)15-7-3-5-11-4-1-2-6-13(11)15/h3,5,7-10,24H,1-2,4,6H2
InChIKeyCNKWPSSCUBWILA-UHFFFAOYSA-N
XLogP4.63
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(trifluoromethyl)benzimidazol-5-ol?
The IUPAC name of 3-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(trifluoromethyl)benzimidazol-5-ol (CID 10382073) is 3-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(trifluoromethyl)benzimidazol-5-ol.
What is the SMILES notation for 3-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(trifluoromethyl)benzimidazol-5-ol?
The canonical SMILES for 3-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(trifluoromethyl)benzimidazol-5-ol is Oc1ccc2nc(C(F)(F)F)n(-c3cccc4c3CCCC4)c2c1.
What is the InChIKey of 3-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(trifluoromethyl)benzimidazol-5-ol?
The InChIKey is CNKWPSSCUBWILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O/c19-18(20,21)17-22-14-9-8-12(24)10-16(14)23(17)15-7-3-5-11-4-1-2-6-13(11)15/h3,5,7-10,24H,1-2,4,6H2.
What are the key properties of 3-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(trifluoromethyl)benzimidazol-5-ol?
3-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(trifluoromethyl)benzimidazol-5-ol has a molecular weight of 332.33 g/mol, XLogP of 4.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(trifluoromethyl)benzimidazol-5-ol is sourced from PubChem (CID 10382073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).