1-cyclopropyl-4-(1,1-difluorobutyl)-2-propan-2-ylimidazole

C13H20F2N2 — CID 172584491

IUPAC1-cyclopropyl-4-(1,1-difluorobutyl)-2-propan-2-ylimidazole
SMILESCCCC(F)(F)c1cn(C2CC2)c(C(C)C)n1
InChIInChI=1S/C13H20F2N2/c1-4-7-13(14,15)11-8-17(10-5-6-10)12(16-11)9(2)3/h8-10H,4-7H2,1-3H3
InChIKeyIICXEHYMBLCSPS-UHFFFAOYSA-N
MW242.31 g/mol
LogP4.23
Rot. Bonds5

About 1-cyclopropyl-4-(1,1-difluorobutyl)-2-propan-2-ylimidazole

1-cyclopropyl-4-(1,1-difluorobutyl)-2-propan-2-ylimidazole (PubChem CID 172584491) has the molecular formula C13H20F2N2 and a molecular weight of 242.31 g/mol. Its IUPAC name is 1-cyclopropyl-4-(1,1-difluorobutyl)-2-propan-2-ylimidazole.

Molecular Properties

Compound Name1-cyclopropyl-4-(1,1-difluorobutyl)-2-propan-2-ylimidazole
PubChem CID172584491
Molecular FormulaC13H20F2N2
Molecular Weight242.31 g/mol
Exact Mass242.16
IUPAC Name1-cyclopropyl-4-(1,1-difluorobutyl)-2-propan-2-ylimidazole
SMILESCCCC(F)(F)c1cn(C2CC2)c(C(C)C)n1
InChIInChI=1S/C13H20F2N2/c1-4-7-13(14,15)11-8-17(10-5-6-10)12(16-11)9(2)3/h8-10H,4-7H2,1-3H3
InChIKeyIICXEHYMBLCSPS-UHFFFAOYSA-N
XLogP4.23
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1,1-difluoroethyl)-1-(1-methylazetidin-3-yl)-2-propan-2-ylimidazole;ethane
CID 170707303
2-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]propanoic acid
CID 83851254
5-[1-(4-morpholin-4-ylcyclohexyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 134299194
1-(oxan-4-yl)-2-propan-2-ylimidazole-4-sulfonamide
CID 81340009
4-tert-butyl-1-cyclopentyl-2-ethylimidazole
CID 167328090
1-[1-cyclobutyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]propan-1-ol
CID 134295072
1-(oxolan-3-yl)-2-propan-2-ylimidazol-4-amine
CID 130138812
1-(1-methylazetidin-3-yl)-2-propyl-4-(trifluoromethyl)imidazole
CID 172596773
1-(oxetan-3-yl)-2-propyl-4-(trifluoromethyl)imidazole
CID 172585743
7-(2-methylpropyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 163390431
1-[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]ethanamine
CID 172584108
5-[1-(3-fluorocyclobutyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 134280986

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(1,1-difluorobutyl)-2-propan-2-ylimidazole?
The IUPAC name of 1-cyclopropyl-4-(1,1-difluorobutyl)-2-propan-2-ylimidazole (CID 172584491) is 1-cyclopropyl-4-(1,1-difluorobutyl)-2-propan-2-ylimidazole.
What is the SMILES notation for 1-cyclopropyl-4-(1,1-difluorobutyl)-2-propan-2-ylimidazole?
The canonical SMILES for 1-cyclopropyl-4-(1,1-difluorobutyl)-2-propan-2-ylimidazole is CCCC(F)(F)c1cn(C2CC2)c(C(C)C)n1.
What is the InChIKey of 1-cyclopropyl-4-(1,1-difluorobutyl)-2-propan-2-ylimidazole?
The InChIKey is IICXEHYMBLCSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2/c1-4-7-13(14,15)11-8-17(10-5-6-10)12(16-11)9(2)3/h8-10H,4-7H2,1-3H3.
What are the key properties of 1-cyclopropyl-4-(1,1-difluorobutyl)-2-propan-2-ylimidazole?
1-cyclopropyl-4-(1,1-difluorobutyl)-2-propan-2-ylimidazole has a molecular weight of 242.31 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(1,1-difluorobutyl)-2-propan-2-ylimidazole is sourced from PubChem (CID 172584491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).