3-ethyl-2-(trifluoromethyl)-4,5-dihydrobenzimidazole

C10H11F3N2 — CID 142266427

IUPAC3-ethyl-2-(trifluoromethyl)-4,5-dihydrobenzimidazole
SMILESCCn1c(C(F)(F)F)nc2c1CCC=C2
InChIInChI=1S/C10H11F3N2/c1-2-15-8-6-4-3-5-7(8)14-9(15)10(11,12)13/h3,5H,2,4,6H2,1H3
InChIKeyZPDQLMKKJIRTGL-UHFFFAOYSA-N
MW216.21 g/mol
LogP2.88
Rot. Bonds1

About 3-ethyl-2-(trifluoromethyl)-4,5-dihydrobenzimidazole

3-ethyl-2-(trifluoromethyl)-4,5-dihydrobenzimidazole (PubChem CID 142266427) has the molecular formula C10H11F3N2 and a molecular weight of 216.21 g/mol. Its IUPAC name is 3-ethyl-2-(trifluoromethyl)-4,5-dihydrobenzimidazole.

Molecular Properties

Compound Name3-ethyl-2-(trifluoromethyl)-4,5-dihydrobenzimidazole
PubChem CID142266427
Molecular FormulaC10H11F3N2
Molecular Weight216.21 g/mol
Exact Mass216.09
IUPAC Name3-ethyl-2-(trifluoromethyl)-4,5-dihydrobenzimidazole
SMILESCCn1c(C(F)(F)F)nc2c1CCC=C2
InChIInChI=1S/C10H11F3N2/c1-2-15-8-6-4-3-5-7(8)14-9(15)10(11,12)13/h3,5H,2,4,6H2,1H3
InChIKeyZPDQLMKKJIRTGL-UHFFFAOYSA-N
XLogP2.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-(2-methylpent-2-enylidene)-2,5-bis(trifluoromethyl)-6H-benzimidazol-1-amine
CID 53855338
7,8-dimethyl-3-(trifluoromethyl)-1H-acenaphthyleno[1,2-d]imidazol-1-ide;iridium
CID 59515031
7,8-dimethyl-2-(trifluoromethyl)-1H-acenaphthyleno[1,2-d]imidazol-1-ide;iridium
CID 59515044
N-[3-[3-cyclopropyl-6-(trifluoromethyl)-4,5-dihydrobenzimidazol-2-yl]-2-fluoropenta-1,3-dienyl]methanimine
CID 91603402
1-(2-Fluoroethyl)-2,5,6-trimethyl-4,5-dihydrobenzimidazole
CID 123630041
7-bromo-6-fluoro-2,3,5,6-tetrahydro-1H-pyrrolo[1,2-a]benzimidazole
CID 123857775
1,2,5-trimethyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]imidazole
CID 126580879
4-(6-fluoro-6,7-dihydro-1H-benzimidazol-2-yl)butan-1-amine
CID 126607252
Ethane;1-methyl-2-(trifluoromethyl)-4,5-dihydroimidazo[4,5-b]pyridine
CID 142222860
Ethane;2-ethyl-3-methyl-6-(trifluoromethyl)-4,5-dihydrobenzimidazole
CID 144175248
6,7-difluoro-2-methyl-6,7-dihydro-1H-benzimidazole
CID 149388956
4-(Difluoromethyl)-1,2-bis(ethenyl)-5-ethylimidazole
CID 153554099

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(trifluoromethyl)-4,5-dihydrobenzimidazole?
The IUPAC name of 3-ethyl-2-(trifluoromethyl)-4,5-dihydrobenzimidazole (CID 142266427) is 3-ethyl-2-(trifluoromethyl)-4,5-dihydrobenzimidazole.
What is the SMILES notation for 3-ethyl-2-(trifluoromethyl)-4,5-dihydrobenzimidazole?
The canonical SMILES for 3-ethyl-2-(trifluoromethyl)-4,5-dihydrobenzimidazole is CCn1c(C(F)(F)F)nc2c1CCC=C2.
What is the InChIKey of 3-ethyl-2-(trifluoromethyl)-4,5-dihydrobenzimidazole?
The InChIKey is ZPDQLMKKJIRTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2/c1-2-15-8-6-4-3-5-7(8)14-9(15)10(11,12)13/h3,5H,2,4,6H2,1H3.
What are the key properties of 3-ethyl-2-(trifluoromethyl)-4,5-dihydrobenzimidazole?
3-ethyl-2-(trifluoromethyl)-4,5-dihydrobenzimidazole has a molecular weight of 216.21 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(trifluoromethyl)-4,5-dihydrobenzimidazole is sourced from PubChem (CID 142266427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).