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

C11H9F3N2 — CID 91675309

IUPAC6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
SMILESFC(F)(F)c1ccc2c(c1)nc1n2CCC1
InChIInChI=1S/C11H9F3N2/c12-11(13,14)7-3-4-9-8(6-7)15-10-2-1-5-16(9)10/h3-4,6H,1-2,5H2
InChIKeyKBYBPABKJWXBDM-UHFFFAOYSA-N
MW226.20 g/mol
LogP3.00
Rot. Bonds

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

6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole (PubChem CID 91675309) has the molecular formula C11H9F3N2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
PubChem CID91675309
Molecular FormulaC11H9F3N2
Molecular Weight226.20 g/mol
Exact Mass226.07
IUPAC Name6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
SMILESFC(F)(F)c1ccc2c(c1)nc1n2CCC1
InChIInChI=1S/C11H9F3N2/c12-11(13,14)7-3-4-9-8(6-7)15-10-2-1-5-16(9)10/h3-4,6H,1-2,5H2
InChIKeyKBYBPABKJWXBDM-UHFFFAOYSA-N
XLogP3.00
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-6-carbaldehyde
CID 82405887
6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-2-ol
CID 115044600
2-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)propan-2-amine
CID 117307095
2-(trifluoromethyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-imine
CID 18992694
3-nitro-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole
CID 3567443
6-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-amine
CID 175752504
2-(chloromethyl)-1-piperidin-1-yl-5-(trifluoromethyl)benzimidazole
CID 83018762
2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-7-carbaldehyde
CID 82405915
3-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)-3-methylbutanoic acid
CID 117399432
2-bromo-11-(trifluoromethyl)-6,7-dihydrobenzimidazolo[1,2-d][1,4]benzoxazepine
CID 118728338
7-nitro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
CID 102045736
6-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline
CID 121358921

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole?
The IUPAC name of 6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole (CID 91675309) is 6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole.
What is the SMILES notation for 6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole?
The canonical SMILES for 6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole is FC(F)(F)c1ccc2c(c1)nc1n2CCC1.
What is the InChIKey of 6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole?
The InChIKey is KBYBPABKJWXBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2/c12-11(13,14)7-3-4-9-8(6-7)15-10-2-1-5-16(9)10/h3-4,6H,1-2,5H2.
What are the key properties of 6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole?
6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole has a molecular weight of 226.20 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole is sourced from PubChem (CID 91675309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).