2-(5-cyclopropyl-1-methylimidazol-2-yl)-1-(2,2-difluorocyclopropyl)ethanone

C12H14F2N2O — CID 174330889

IUPAC2-(5-cyclopropyl-1-methylimidazol-2-yl)-1-(2,2-difluorocyclopropyl)ethanone
SMILESCn1c(C2CC2)cnc1CC(=O)C1CC1(F)F
InChIInChI=1S/C12H14F2N2O/c1-16-9(7-2-3-7)6-15-11(16)4-10(17)8-5-12(8,13)14/h6-8H,2-5H2,1H3
InChIKeyWTHKRBCTQUGHFK-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.06
Rot. Bonds4

About 2-(5-cyclopropyl-1-methylimidazol-2-yl)-1-(2,2-difluorocyclopropyl)ethanone

2-(5-cyclopropyl-1-methylimidazol-2-yl)-1-(2,2-difluorocyclopropyl)ethanone (PubChem CID 174330889) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is 2-(5-cyclopropyl-1-methylimidazol-2-yl)-1-(2,2-difluorocyclopropyl)ethanone.

Molecular Properties

Compound Name2-(5-cyclopropyl-1-methylimidazol-2-yl)-1-(2,2-difluorocyclopropyl)ethanone
PubChem CID174330889
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name2-(5-cyclopropyl-1-methylimidazol-2-yl)-1-(2,2-difluorocyclopropyl)ethanone
SMILESCn1c(C2CC2)cnc1CC(=O)C1CC1(F)F
InChIInChI=1S/C12H14F2N2O/c1-16-9(7-2-3-7)6-15-11(16)4-10(17)8-5-12(8,13)14/h6-8H,2-5H2,1H3
InChIKeyWTHKRBCTQUGHFK-UHFFFAOYSA-N
XLogP2.06
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopropyl-1-methylimidazol-2-yl)-1-(2,2-difluorocyclopropyl)ethanone?
The IUPAC name of 2-(5-cyclopropyl-1-methylimidazol-2-yl)-1-(2,2-difluorocyclopropyl)ethanone (CID 174330889) is 2-(5-cyclopropyl-1-methylimidazol-2-yl)-1-(2,2-difluorocyclopropyl)ethanone.
What is the SMILES notation for 2-(5-cyclopropyl-1-methylimidazol-2-yl)-1-(2,2-difluorocyclopropyl)ethanone?
The canonical SMILES for 2-(5-cyclopropyl-1-methylimidazol-2-yl)-1-(2,2-difluorocyclopropyl)ethanone is Cn1c(C2CC2)cnc1CC(=O)C1CC1(F)F.
What is the InChIKey of 2-(5-cyclopropyl-1-methylimidazol-2-yl)-1-(2,2-difluorocyclopropyl)ethanone?
The InChIKey is WTHKRBCTQUGHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c1-16-9(7-2-3-7)6-15-11(16)4-10(17)8-5-12(8,13)14/h6-8H,2-5H2,1H3.
What are the key properties of 2-(5-cyclopropyl-1-methylimidazol-2-yl)-1-(2,2-difluorocyclopropyl)ethanone?
2-(5-cyclopropyl-1-methylimidazol-2-yl)-1-(2,2-difluorocyclopropyl)ethanone has a molecular weight of 240.25 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropyl-1-methylimidazol-2-yl)-1-(2,2-difluorocyclopropyl)ethanone is sourced from PubChem (CID 174330889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).