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

C10H12F2N2 — CID 169159778

IUPAC2-(1,1-difluoroethyl)-1-methyl-5,6-dihydrobenzimidazole
SMILESCn1c(C(C)(F)F)nc2c1=CCCC=2
InChIInChI=1S/C10H12F2N2/c1-10(11,12)9-13-7-5-3-4-6-8(7)14(9)2/h5-6H,3-4H2,1-2H3
InChIKeyLYSMDPPMRWKSFN-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.89
Rot. Bonds1

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

2-(1,1-difluoroethyl)-1-methyl-5,6-dihydrobenzimidazole (PubChem CID 169159778) has the molecular formula C10H12F2N2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-1-methyl-5,6-dihydrobenzimidazole.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-1-methyl-5,6-dihydrobenzimidazole
PubChem CID169159778
Molecular FormulaC10H12F2N2
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name2-(1,1-difluoroethyl)-1-methyl-5,6-dihydrobenzimidazole
SMILESCn1c(C(C)(F)F)nc2c1=CCCC=2
InChIInChI=1S/C10H12F2N2/c1-10(11,12)9-13-7-5-3-4-6-8(7)14(9)2/h5-6H,3-4H2,1-2H3
InChIKeyLYSMDPPMRWKSFN-UHFFFAOYSA-N
XLogP0.89
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5E)-1,2-dimethyl-4-methylidene-5-[(E)-4,4,5-trifluoro-3-methylpent-2-enylidene]imidazole
CID 146359447
(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
2-(1,1-Difluoroethyl)-1-methyl-5,6-dihydrobenzimidazole;ethane
CID 169159777
Ethane;1-methyl-2-(trifluoromethyl)-5,6-dihydrobenzimidazole
CID 169159779
(4E,5E)-5-ethylidene-1-methyl-4-propylidene-2-(trifluoromethyl)imidazole
CID 170191493
2-(2,2,2-trifluoroethyl)-5,6-dihydro-1H-benzimidazole
CID 175894186
3,5-Dimethyl-2-(trifluoromethyl)-5,6-dihydroimidazo[4,5-b]pyridine
CID 162548587
2-(Difluoromethyl)-1-methyl-5,6-dihydrobenzimidazole
CID 169159772
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

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-1-methyl-5,6-dihydrobenzimidazole?
The IUPAC name of 2-(1,1-difluoroethyl)-1-methyl-5,6-dihydrobenzimidazole (CID 169159778) is 2-(1,1-difluoroethyl)-1-methyl-5,6-dihydrobenzimidazole.
What is the SMILES notation for 2-(1,1-difluoroethyl)-1-methyl-5,6-dihydrobenzimidazole?
The canonical SMILES for 2-(1,1-difluoroethyl)-1-methyl-5,6-dihydrobenzimidazole is Cn1c(C(C)(F)F)nc2c1=CCCC=2.
What is the InChIKey of 2-(1,1-difluoroethyl)-1-methyl-5,6-dihydrobenzimidazole?
The InChIKey is LYSMDPPMRWKSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2/c1-10(11,12)9-13-7-5-3-4-6-8(7)14(9)2/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-(1,1-difluoroethyl)-1-methyl-5,6-dihydrobenzimidazole?
2-(1,1-difluoroethyl)-1-methyl-5,6-dihydrobenzimidazole has a molecular weight of 198.22 g/mol, XLogP of 0.89, 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 is sourced from PubChem (CID 169159778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).