2-(difluoromethyl)-1-methyl-5-propan-2-ylbenzimidazole

C12H14F2N2 — CID 176703273

IUPAC2-(difluoromethyl)-1-methyl-5-propan-2-ylbenzimidazole
SMILESCC(C)c1ccc2c(c1)nc(C(F)F)n2C
InChIInChI=1S/C12H14F2N2/c1-7(2)8-4-5-10-9(6-8)15-12(11(13)14)16(10)3/h4-7,11H,1-3H3
InChIKeyYNPXPSUADIXWGN-UHFFFAOYSA-N
MW224.25 g/mol
LogP3.63
Rot. Bonds2

About 2-(difluoromethyl)-1-methyl-5-propan-2-ylbenzimidazole

2-(difluoromethyl)-1-methyl-5-propan-2-ylbenzimidazole (PubChem CID 176703273) has the molecular formula C12H14F2N2 and a molecular weight of 224.25 g/mol. Its IUPAC name is 2-(difluoromethyl)-1-methyl-5-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name2-(difluoromethyl)-1-methyl-5-propan-2-ylbenzimidazole
PubChem CID176703273
Molecular FormulaC12H14F2N2
Molecular Weight224.25 g/mol
Exact Mass224.11
IUPAC Name2-(difluoromethyl)-1-methyl-5-propan-2-ylbenzimidazole
SMILESCC(C)c1ccc2c(c1)nc(C(F)F)n2C
InChIInChI=1S/C12H14F2N2/c1-7(2)8-4-5-10-9(6-8)15-12(11(13)14)16(10)3/h4-7,11H,1-3H3
InChIKeyYNPXPSUADIXWGN-UHFFFAOYSA-N
XLogP3.63
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanamine
CID 82493456
2-(difluoromethyl)-5-methoxy-1-methylbenzimidazole
CID 145162362
2-tert-butyl-1-methyl-5-propan-2-ylbenzimidazole
CID 83450237
1-[1,5-di(propan-2-yl)benzimidazol-2-yl]ethanamine
CID 82333985
3-(1-methyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 82333928
N-methyl-2-(1-methyl-5-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 82334064
azetidin-1-yl-[2-(difluoromethyl)-1-methylbenzimidazol-5-yl]methanone
CID 166179148
6-bromo-2-(difluoromethyl)-1-methylimidazo[4,5-c]pyridine
CID 178122032
1-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropan-1-amine
CID 82493454
1-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]propan-1-amine
CID 82334045
2-[2-(1-chloroethyl)-5-propan-2-ylbenzimidazol-1-yl]-N,N-dimethylethanamine
CID 82334199
1-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]ethanamine
CID 82333992

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1-methyl-5-propan-2-ylbenzimidazole?
The IUPAC name of 2-(difluoromethyl)-1-methyl-5-propan-2-ylbenzimidazole (CID 176703273) is 2-(difluoromethyl)-1-methyl-5-propan-2-ylbenzimidazole.
What is the SMILES notation for 2-(difluoromethyl)-1-methyl-5-propan-2-ylbenzimidazole?
The canonical SMILES for 2-(difluoromethyl)-1-methyl-5-propan-2-ylbenzimidazole is CC(C)c1ccc2c(c1)nc(C(F)F)n2C.
What is the InChIKey of 2-(difluoromethyl)-1-methyl-5-propan-2-ylbenzimidazole?
The InChIKey is YNPXPSUADIXWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2/c1-7(2)8-4-5-10-9(6-8)15-12(11(13)14)16(10)3/h4-7,11H,1-3H3.
What are the key properties of 2-(difluoromethyl)-1-methyl-5-propan-2-ylbenzimidazole?
2-(difluoromethyl)-1-methyl-5-propan-2-ylbenzimidazole has a molecular weight of 224.25 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1-methyl-5-propan-2-ylbenzimidazole is sourced from PubChem (CID 176703273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).