2-[4-(trifluoromethyl)phenyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol

C14H15F3N2O — CID 115065730

IUPAC2-[4-(trifluoromethyl)phenyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol
SMILESOC1CCC2N=C(c3ccc(C(F)(F)F)cc3)NC2C1
InChIInChI=1S/C14H15F3N2O/c15-14(16,17)9-3-1-8(2-4-9)13-18-11-6-5-10(20)7-12(11)19-13/h1-4,10-12,20H,5-7H2,(H,18,19)
InChIKeyLCIDYAAGFPXKLX-UHFFFAOYSA-N
MW284.28 g/mol
LogP2.34
Rot. Bonds1

About 2-[4-(trifluoromethyl)phenyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol

2-[4-(trifluoromethyl)phenyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol (PubChem CID 115065730) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol
PubChem CID115065730
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name2-[4-(trifluoromethyl)phenyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol
SMILESOC1CCC2N=C(c3ccc(C(F)(F)F)cc3)NC2C1
InChIInChI=1S/C14H15F3N2O/c15-14(16,17)9-3-1-8(2-4-9)13-18-11-6-5-10(20)7-12(11)19-13/h1-4,10-12,20H,5-7H2,(H,18,19)
InChIKeyLCIDYAAGFPXKLX-UHFFFAOYSA-N
XLogP2.34
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(trifluoromethyl)phenyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol
CID 115065620
2-(3-fluorophenyl)-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol
CID 115065626
2-[2-(trifluoromethyl)phenyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol
CID 115065678
2-(2-fluorophenyl)-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol
CID 115065682
2-(4-fluorophenyl)-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol
CID 115065734
2-[[3-(trifluoromethyl)phenyl]methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol
CID 115065834
2-[(3-fluorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol
CID 115065840
2-[[2-(trifluoromethyl)phenyl]methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol
CID 115065892
2-[(2-fluorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol
CID 115065896
2-[[4-(trifluoromethyl)phenyl]methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol
CID 115065942
2-[(4-fluorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol
CID 115065946
2-phenyl-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol
CID 115065622

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol (CID 115065730) is 2-[4-(trifluoromethyl)phenyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol is OC1CCC2N=C(c3ccc(C(F)(F)F)cc3)NC2C1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol?
The InChIKey is LCIDYAAGFPXKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c15-14(16,17)9-3-1-8(2-4-9)13-18-11-6-5-10(20)7-12(11)19-13/h1-4,10-12,20H,5-7H2,(H,18,19).
What are the key properties of 2-[4-(trifluoromethyl)phenyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol?
2-[4-(trifluoromethyl)phenyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol has a molecular weight of 284.28 g/mol, XLogP of 2.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-ol is sourced from PubChem (CID 115065730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).