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

C12H18F2N2 — CID 169159777

IUPAC2-(1,1-difluoroethyl)-1-methyl-5,6-dihydrobenzimidazole;ethane
SMILESCC.Cn1c(C(C)(F)F)nc2c1=CCCC=2
InChIInChI=1S/C10H12F2N2.C2H6/c1-10(11,12)9-13-7-5-3-4-6-8(7)14(9)2;1-2/h5-6H,3-4H2,1-2H3;1-2H3
InChIKeyCXNDDRUFJHYWOO-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.91
Rot. Bonds1

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

2-(1,1-difluoroethyl)-1-methyl-5,6-dihydrobenzimidazole;ethane (PubChem CID 169159777) has the molecular formula C12H18F2N2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-1-methyl-5,6-dihydrobenzimidazole;ethane.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-1-methyl-5,6-dihydrobenzimidazole;ethane
PubChem CID169159777
Molecular FormulaC12H18F2N2
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name2-(1,1-difluoroethyl)-1-methyl-5,6-dihydrobenzimidazole;ethane
SMILESCC.Cn1c(C(C)(F)F)nc2c1=CCCC=2
InChIInChI=1S/C10H12F2N2.C2H6/c1-10(11,12)9-13-7-5-3-4-6-8(7)14(9)2;1-2/h5-6H,3-4H2,1-2H3;1-2H3
InChIKeyCXNDDRUFJHYWOO-UHFFFAOYSA-N
XLogP1.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5E)-2-ethyl-1-methyl-5-[(E)-3-(trifluoromethyl)pent-2-enylidene]-4H-imidazole
CID 146359507
1-Propyl-6-(trifluoromethyl)-5,6-dihydrobenzimidazole
CID 146593814
Ethane;1-methyl-2-(trifluoromethyl)-5,6-dihydrobenzimidazole
CID 169159779
(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
3,5-Dimethyl-2-(trifluoromethyl)-5,6-dihydroimidazo[4,5-b]pyridine
CID 162548587
2-(Difluoromethyl)-1-methyl-5,6-dihydrobenzimidazole
CID 169159772
2-(1,1-Difluoroethyl)-1-methyl-5,6-dihydrobenzimidazole
CID 169159778
1-Methyl-2-(trifluoromethyl)-5,6-dihydrobenzimidazole
CID 169159780
(4E,5E)-2-(1,1-difluoroethyl)-4,5-di(ethylidene)-1-methylimidazole
CID 169173295
1,2,3-Trimethyl-5,6-dihydrobenzimidazol-3-ium
CID 59289989
2-(1-Ethyl-1-methyl-5,6-dihydrobenzimidazol-1-ium-2-yl)acetonitrile
CID 123359022

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-1-methyl-5,6-dihydrobenzimidazole;ethane?
The IUPAC name of 2-(1,1-difluoroethyl)-1-methyl-5,6-dihydrobenzimidazole;ethane (CID 169159777) is 2-(1,1-difluoroethyl)-1-methyl-5,6-dihydrobenzimidazole;ethane.
What is the SMILES notation for 2-(1,1-difluoroethyl)-1-methyl-5,6-dihydrobenzimidazole;ethane?
The canonical SMILES for 2-(1,1-difluoroethyl)-1-methyl-5,6-dihydrobenzimidazole;ethane is CC.Cn1c(C(C)(F)F)nc2c1=CCCC=2.
What is the InChIKey of 2-(1,1-difluoroethyl)-1-methyl-5,6-dihydrobenzimidazole;ethane?
The InChIKey is CXNDDRUFJHYWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2.C2H6/c1-10(11,12)9-13-7-5-3-4-6-8(7)14(9)2;1-2/h5-6H,3-4H2,1-2H3;1-2H3.
What are the key properties of 2-(1,1-difluoroethyl)-1-methyl-5,6-dihydrobenzimidazole;ethane?
2-(1,1-difluoroethyl)-1-methyl-5,6-dihydrobenzimidazole;ethane has a molecular weight of 228.29 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-1-methyl-5,6-dihydrobenzimidazole;ethane is sourced from PubChem (CID 169159777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).