6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-2-ol

C11H9F3N2O — CID 115044600

IUPAC6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-2-ol
SMILESOC1Cc2nc3cc(C(F)(F)F)ccc3n2C1
InChIInChI=1S/C11H9F3N2O/c12-11(13,14)6-1-2-9-8(3-6)15-10-4-7(17)5-16(9)10/h1-3,7,17H,4-5H2
InChIKeyWBURBEARFPBHHE-UHFFFAOYSA-N
MW242.20 g/mol
LogP1.97
Rot. Bonds

About 6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-2-ol

6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-2-ol (PubChem CID 115044600) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is 6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-2-ol.

Molecular Properties

Compound Name6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-2-ol
PubChem CID115044600
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-2-ol
SMILESOC1Cc2nc3cc(C(F)(F)F)ccc3n2C1
InChIInChI=1S/C11H9F3N2O/c12-11(13,14)6-1-2-9-8(3-6)15-10-4-7(17)5-16(9)10/h1-3,7,17H,4-5H2
InChIKeyWBURBEARFPBHHE-UHFFFAOYSA-N
XLogP1.97
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
CID 91675309
1-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzimidazol-2-amine
CID 115502131
1-methyl-5-(trifluoromethyl)benzimidazole-2-carbaldehyde;hydrate
CID 135741274
5-[[2-amino-5-(trifluoromethyl)benzimidazol-1-yl]methyl]pyrrolidin-2-one
CID 115502117
1-pentan-3-yl-5-(trifluoromethyl)benzimidazol-2-amine
CID 115501988
1-(2-bicyclo[2.2.1]heptanyl)-5-(trifluoromethyl)benzimidazol-2-amine
CID 115502118
N-[[8-(trifluoromethyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]acetamide
CID 162798931
1-methyl-2-methylsulfanyl-5-(trifluoromethyl)benzimidazole
CID 134095240
N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]cyclopropanamine
CID 80711654
2-(2-chloroethyl)-1-cyclopentyl-5-(trifluoromethyl)benzimidazole
CID 115502183
3-amino-3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-ol
CID 81456809
methyl 1-[3-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]phenyl]azetidine-3-carboxylate
CID 126645049

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-2-ol?
The IUPAC name of 6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-2-ol (CID 115044600) is 6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-2-ol.
What is the SMILES notation for 6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-2-ol?
The canonical SMILES for 6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-2-ol is OC1Cc2nc3cc(C(F)(F)F)ccc3n2C1.
What is the InChIKey of 6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-2-ol?
The InChIKey is WBURBEARFPBHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c12-11(13,14)6-1-2-9-8(3-6)15-10-4-7(17)5-16(9)10/h1-3,7,17H,4-5H2.
What are the key properties of 6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-2-ol?
6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-2-ol has a molecular weight of 242.20 g/mol, XLogP of 1.97, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-2-ol is sourced from PubChem (CID 115044600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).