1-ethyl-6-(trifluoromethyl)-3a,4-dihydrobenzimidazole

C10H11F3N2 — CID 134239565

IUPAC1-ethyl-6-(trifluoromethyl)-3a,4-dihydrobenzimidazole
SMILESCCN1C=NC2CC=C(C(F)(F)F)C=C21
InChIInChI=1S/C10H11F3N2/c1-2-15-6-14-8-4-3-7(5-9(8)15)10(11,12)13/h3,5-6,8H,2,4H2,1H3
InChIKeyGRMWCTHGJZUZCU-UHFFFAOYSA-N
MW216.21 g/mol
LogP2.50
Rot. Bonds1

About 1-ethyl-6-(trifluoromethyl)-3a,4-dihydrobenzimidazole

1-ethyl-6-(trifluoromethyl)-3a,4-dihydrobenzimidazole (PubChem CID 134239565) has the molecular formula C10H11F3N2 and a molecular weight of 216.21 g/mol. Its IUPAC name is 1-ethyl-6-(trifluoromethyl)-3a,4-dihydrobenzimidazole.

Molecular Properties

Compound Name1-ethyl-6-(trifluoromethyl)-3a,4-dihydrobenzimidazole
PubChem CID134239565
Molecular FormulaC10H11F3N2
Molecular Weight216.21 g/mol
Exact Mass216.09
IUPAC Name1-ethyl-6-(trifluoromethyl)-3a,4-dihydrobenzimidazole
SMILESCCN1C=NC2CC=C(C(F)(F)F)C=C21
InChIInChI=1S/C10H11F3N2/c1-2-15-6-14-8-4-3-7(5-9(8)15)10(11,12)13/h3,5-6,8H,2,4H2,1H3
InChIKeyGRMWCTHGJZUZCU-UHFFFAOYSA-N
XLogP2.50
TPSA15.60 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 ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3aS)-3-tert-butyl-6-fluoro-3a,4-dihydrobenzimidazole
CID 134239299
3-(Pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)-3a,4-dihydrobenzimidazole
CID 138534949
2-[5-(Trifluoromethyl)-3a,4-dihydrobenzimidazol-1-yl]acetonitrile
CID 138535095
(5E)-4-methylidene-1-prop-2-ynyl-5-[(E)-2-(trifluoromethyl)but-2-enylidene]imidazole
CID 138535097
3-But-3-enyl-4-methyl-5-(trifluoromethyl)-3a,4-dihydrobenzimidazole
CID 146593644
(3aR)-3,3a-dimethyl-5-(trifluoromethyl)-4H-benzimidazole
CID 146593813
1-Propyl-6-(trifluoromethyl)-5,6-dihydrobenzimidazole
CID 146593814
1-Methyl-5-(trifluoromethyl)-3a,4-dihydrobenzimidazole
CID 146593817
(4R)-4-methyl-6-(trifluoromethyl)-3a,4-dihydrobenzimidazole-1-carbonitrile
CID 173860610
3-Butyl-5-(trifluoromethyl)-3a,4-dihydrobenzimidazole
CID 162572830
1,6-Dimethyl-3a,4-dihydrobenzimidazole
CID 68289396
1-[(Z,2E)-2-ethylidenehex-3-en-5-ynyl]-3a,4-dihydrobenzimidazole
CID 134239381

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-(trifluoromethyl)-3a,4-dihydrobenzimidazole?
The IUPAC name of 1-ethyl-6-(trifluoromethyl)-3a,4-dihydrobenzimidazole (CID 134239565) is 1-ethyl-6-(trifluoromethyl)-3a,4-dihydrobenzimidazole.
What is the SMILES notation for 1-ethyl-6-(trifluoromethyl)-3a,4-dihydrobenzimidazole?
The canonical SMILES for 1-ethyl-6-(trifluoromethyl)-3a,4-dihydrobenzimidazole is CCN1C=NC2CC=C(C(F)(F)F)C=C21.
What is the InChIKey of 1-ethyl-6-(trifluoromethyl)-3a,4-dihydrobenzimidazole?
The InChIKey is GRMWCTHGJZUZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2/c1-2-15-6-14-8-4-3-7(5-9(8)15)10(11,12)13/h3,5-6,8H,2,4H2,1H3.
What are the key properties of 1-ethyl-6-(trifluoromethyl)-3a,4-dihydrobenzimidazole?
1-ethyl-6-(trifluoromethyl)-3a,4-dihydrobenzimidazole has a molecular weight of 216.21 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-(trifluoromethyl)-3a,4-dihydrobenzimidazole is sourced from PubChem (CID 134239565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).