ethane;1-methyl-2-(trifluoromethyl)-5,6-dihydrobenzimidazole

C11H15F3N2 — CID 169159779

IUPACethane;1-methyl-2-(trifluoromethyl)-5,6-dihydrobenzimidazole
SMILESCC.Cn1c(C(F)(F)F)nc2c1=CCCC=2
InChIInChI=1S/C9H9F3N2.C2H6/c1-14-7-5-3-2-4-6(7)13-8(14)9(10,11)12;1-2/h4-5H,2-3H2,1H3;1-2H3
InChIKeyYGKDVICUDSVZQF-UHFFFAOYSA-N
MW232.25 g/mol
LogP1.82
Rot. Bonds

About ethane;1-methyl-2-(trifluoromethyl)-5,6-dihydrobenzimidazole

ethane;1-methyl-2-(trifluoromethyl)-5,6-dihydrobenzimidazole (PubChem CID 169159779) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is ethane;1-methyl-2-(trifluoromethyl)-5,6-dihydrobenzimidazole.

Molecular Properties

Compound Nameethane;1-methyl-2-(trifluoromethyl)-5,6-dihydrobenzimidazole
PubChem CID169159779
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC Nameethane;1-methyl-2-(trifluoromethyl)-5,6-dihydrobenzimidazole
SMILESCC.Cn1c(C(F)(F)F)nc2c1=CCCC=2
InChIInChI=1S/C9H9F3N2.C2H6/c1-14-7-5-3-2-4-6(7)13-8(14)9(10,11)12;1-2/h4-5H,2-3H2,1H3;1-2H3
InChIKeyYGKDVICUDSVZQF-UHFFFAOYSA-N
XLogP1.82
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,4,6-Tetramethyl-2,5-bis(trifluoromethyl)-5,6-dihydrobenzimidazol-3-ium
CID 129069442
1-Fluoro-2-methyl-5,6-dihydrobenzimidazole
CID 142910098
(5E)-1,2-dimethyl-4-methylidene-5-[(E)-4,4,5-trifluoro-3-methylpent-2-enylidene]imidazole
CID 146359447
6-(1,1-difluoroethyl)-2,3-dimethyl-7H-cyclohepta[d]imidazole
CID 146359471
1,2-dimethyl-5-(trifluoromethyl)-7H-cyclohepta[d]imidazole
CID 146359473
2,3-dimethyl-6-(trifluoromethyl)-7H-cyclohepta[d]imidazole
CID 146359516
1-Propyl-6-(trifluoromethyl)-5,6-dihydrobenzimidazole
CID 146593814
2-(1,1-Difluoroethyl)-1-methyl-5,6-dihydrobenzimidazole;ethane
CID 169159777
(4E,5E)-4,5-di(ethylidene)-1-methyl-2-(trifluoromethyl)imidazole
CID 170191140
(4E,5E)-5-ethylidene-1-methyl-4-propylidene-2-(trifluoromethyl)imidazole
CID 170191493
1-[(4E,5E)-5-ethylidene-1-methyl-4-propylideneimidazol-2-yl]-1,1-difluoro-N-methylmethanamine
CID 170204641
6-Chloro-5-fluoro-1,2-dimethyl-5,6-dihydrobenzimidazole
CID 144319145

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-2-(trifluoromethyl)-5,6-dihydrobenzimidazole?
The IUPAC name of ethane;1-methyl-2-(trifluoromethyl)-5,6-dihydrobenzimidazole (CID 169159779) is ethane;1-methyl-2-(trifluoromethyl)-5,6-dihydrobenzimidazole.
What is the SMILES notation for ethane;1-methyl-2-(trifluoromethyl)-5,6-dihydrobenzimidazole?
The canonical SMILES for ethane;1-methyl-2-(trifluoromethyl)-5,6-dihydrobenzimidazole is CC.Cn1c(C(F)(F)F)nc2c1=CCCC=2.
What is the InChIKey of ethane;1-methyl-2-(trifluoromethyl)-5,6-dihydrobenzimidazole?
The InChIKey is YGKDVICUDSVZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2.C2H6/c1-14-7-5-3-2-4-6(7)13-8(14)9(10,11)12;1-2/h4-5H,2-3H2,1H3;1-2H3.
What are the key properties of ethane;1-methyl-2-(trifluoromethyl)-5,6-dihydrobenzimidazole?
ethane;1-methyl-2-(trifluoromethyl)-5,6-dihydrobenzimidazole has a molecular weight of 232.25 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-2-(trifluoromethyl)-5,6-dihydrobenzimidazole is sourced from PubChem (CID 169159779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).