5-butyl-1-[(4,4-difluorocyclohexyl)methyl]-2-(1,1-difluoroethyl)-4-methylimidazole

C17H26F4N2 — CID 174754338

IUPAC5-butyl-1-[(4,4-difluorocyclohexyl)methyl]-2-(1,1-difluoroethyl)-4-methylimidazole
SMILESCCCCc1c(C)nc(C(C)(F)F)n1CC1CCC(F)(F)CC1
InChIInChI=1S/C17H26F4N2/c1-4-5-6-14-12(2)22-15(16(3,18)19)23(14)11-13-7-9-17(20,21)10-8-13/h13H,4-11H2,1-3H3
InChIKeyKGJREHYQLYBXBC-UHFFFAOYSA-N
MW334.40 g/mol
LogP5.47
Rot. Bonds6

About 5-butyl-1-[(4,4-difluorocyclohexyl)methyl]-2-(1,1-difluoroethyl)-4-methylimidazole

5-butyl-1-[(4,4-difluorocyclohexyl)methyl]-2-(1,1-difluoroethyl)-4-methylimidazole (PubChem CID 174754338) has the molecular formula C17H26F4N2 and a molecular weight of 334.40 g/mol. Its IUPAC name is 5-butyl-1-[(4,4-difluorocyclohexyl)methyl]-2-(1,1-difluoroethyl)-4-methylimidazole.

Molecular Properties

Compound Name5-butyl-1-[(4,4-difluorocyclohexyl)methyl]-2-(1,1-difluoroethyl)-4-methylimidazole
PubChem CID174754338
Molecular FormulaC17H26F4N2
Molecular Weight334.40 g/mol
Exact Mass334.20
IUPAC Name5-butyl-1-[(4,4-difluorocyclohexyl)methyl]-2-(1,1-difluoroethyl)-4-methylimidazole
SMILESCCCCc1c(C)nc(C(C)(F)F)n1CC1CCC(F)(F)CC1
InChIInChI=1S/C17H26F4N2/c1-4-5-6-14-12(2)22-15(16(3,18)19)23(14)11-13-7-9-17(20,21)10-8-13/h13H,4-11H2,1-3H3
InChIKeyKGJREHYQLYBXBC-UHFFFAOYSA-N
XLogP5.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.40
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-1-[(4,4-difluorocyclohexyl)methyl]-2-(1,1-difluoroethyl)-4-methylimidazole?
The IUPAC name of 5-butyl-1-[(4,4-difluorocyclohexyl)methyl]-2-(1,1-difluoroethyl)-4-methylimidazole (CID 174754338) is 5-butyl-1-[(4,4-difluorocyclohexyl)methyl]-2-(1,1-difluoroethyl)-4-methylimidazole.
What is the SMILES notation for 5-butyl-1-[(4,4-difluorocyclohexyl)methyl]-2-(1,1-difluoroethyl)-4-methylimidazole?
The canonical SMILES for 5-butyl-1-[(4,4-difluorocyclohexyl)methyl]-2-(1,1-difluoroethyl)-4-methylimidazole is CCCCc1c(C)nc(C(C)(F)F)n1CC1CCC(F)(F)CC1.
What is the InChIKey of 5-butyl-1-[(4,4-difluorocyclohexyl)methyl]-2-(1,1-difluoroethyl)-4-methylimidazole?
The InChIKey is KGJREHYQLYBXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F4N2/c1-4-5-6-14-12(2)22-15(16(3,18)19)23(14)11-13-7-9-17(20,21)10-8-13/h13H,4-11H2,1-3H3.
What are the key properties of 5-butyl-1-[(4,4-difluorocyclohexyl)methyl]-2-(1,1-difluoroethyl)-4-methylimidazole?
5-butyl-1-[(4,4-difluorocyclohexyl)methyl]-2-(1,1-difluoroethyl)-4-methylimidazole has a molecular weight of 334.40 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1-[(4,4-difluorocyclohexyl)methyl]-2-(1,1-difluoroethyl)-4-methylimidazole is sourced from PubChem (CID 174754338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).