6-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-4-ol

C12H11F3N2O — CID 115047732

IUPAC6-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-4-ol
SMILESOC1CCCn2c1nc1c(C(F)(F)F)cccc12
InChIInChI=1S/C12H11F3N2O/c13-12(14,15)7-3-1-4-8-10(7)16-11-9(18)5-2-6-17(8)11/h1,3-4,9,18H,2,5-6H2
InChIKeySEKAXVVJJZHSHL-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.88
Rot. Bonds

About 6-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-4-ol

6-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-4-ol (PubChem CID 115047732) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is 6-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-4-ol.

Molecular Properties

Compound Name6-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-4-ol
PubChem CID115047732
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name6-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-4-ol
SMILESOC1CCCn2c1nc1c(C(F)(F)F)cccc12
InChIInChI=1S/C12H11F3N2O/c13-12(14,15)7-3-1-4-8-10(7)16-11-9(18)5-2-6-17(8)11/h1,3-4,9,18H,2,5-6H2
InChIKeySEKAXVVJJZHSHL-UHFFFAOYSA-N
XLogP2.88
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-ol
CID 115023393
7-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-4-ol
CID 115022614
4-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-amine
CID 171064678
3-hydroxy-1-[2-(trifluoromethyl)phenyl]piperidin-2-one
CID 117014136
[1-propan-2-yl-4-(trifluoromethyl)benzimidazol-2-yl]hydrazine
CID 115059537
3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol
CID 105448422
(4-methylazepan-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 84581077
(3R)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid
CID 51518671
methyl (3R)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylate
CID 97355286
tripyrrolidin-1-yl-[4-(trifluoromethyl)benzotriazol-1-yl]oxyphosphanium
CID 146524933
4-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-ol
CID 115047503
5-[2-fluoro-3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 169410298

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-4-ol?
The IUPAC name of 6-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-4-ol (CID 115047732) is 6-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-4-ol.
What is the SMILES notation for 6-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-4-ol?
The canonical SMILES for 6-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-4-ol is OC1CCCn2c1nc1c(C(F)(F)F)cccc12.
What is the InChIKey of 6-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-4-ol?
The InChIKey is SEKAXVVJJZHSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c13-12(14,15)7-3-1-4-8-10(7)16-11-9(18)5-2-6-17(8)11/h1,3-4,9,18H,2,5-6H2.
What are the key properties of 6-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-4-ol?
6-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-4-ol has a molecular weight of 256.23 g/mol, XLogP of 2.88, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-4-ol is sourced from PubChem (CID 115047732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).