1-(difluoromethyl)-2-methyl-4,5-di(propan-2-yl)imidazole

C11H18F2N2 — CID 170600255

IUPAC1-(difluoromethyl)-2-methyl-4,5-di(propan-2-yl)imidazole
SMILESCc1nc(C(C)C)c(C(C)C)n1C(F)F
InChIInChI=1S/C11H18F2N2/c1-6(2)9-10(7(3)4)15(11(12)13)8(5)14-9/h6-7,11H,1-5H3
InChIKeyCXDQGEOWFZSSNY-UHFFFAOYSA-N
MW216.27 g/mol
LogP3.83
Rot. Bonds3

About 1-(difluoromethyl)-2-methyl-4,5-di(propan-2-yl)imidazole

1-(difluoromethyl)-2-methyl-4,5-di(propan-2-yl)imidazole (PubChem CID 170600255) has the molecular formula C11H18F2N2 and a molecular weight of 216.27 g/mol. Its IUPAC name is 1-(difluoromethyl)-2-methyl-4,5-di(propan-2-yl)imidazole.

Molecular Properties

Compound Name1-(difluoromethyl)-2-methyl-4,5-di(propan-2-yl)imidazole
PubChem CID170600255
Molecular FormulaC11H18F2N2
Molecular Weight216.27 g/mol
Exact Mass216.14
IUPAC Name1-(difluoromethyl)-2-methyl-4,5-di(propan-2-yl)imidazole
SMILESCc1nc(C(C)C)c(C(C)C)n1C(F)F
InChIInChI=1S/C11H18F2N2/c1-6(2)9-10(7(3)4)15(11(12)13)8(5)14-9/h6-7,11H,1-5H3
InChIKeyCXDQGEOWFZSSNY-UHFFFAOYSA-N
XLogP3.83
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-2-methyl-4,5-di(propan-2-yl)imidazole?
The IUPAC name of 1-(difluoromethyl)-2-methyl-4,5-di(propan-2-yl)imidazole (CID 170600255) is 1-(difluoromethyl)-2-methyl-4,5-di(propan-2-yl)imidazole.
What is the SMILES notation for 1-(difluoromethyl)-2-methyl-4,5-di(propan-2-yl)imidazole?
The canonical SMILES for 1-(difluoromethyl)-2-methyl-4,5-di(propan-2-yl)imidazole is Cc1nc(C(C)C)c(C(C)C)n1C(F)F.
What is the InChIKey of 1-(difluoromethyl)-2-methyl-4,5-di(propan-2-yl)imidazole?
The InChIKey is CXDQGEOWFZSSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2/c1-6(2)9-10(7(3)4)15(11(12)13)8(5)14-9/h6-7,11H,1-5H3.
What are the key properties of 1-(difluoromethyl)-2-methyl-4,5-di(propan-2-yl)imidazole?
1-(difluoromethyl)-2-methyl-4,5-di(propan-2-yl)imidazole has a molecular weight of 216.27 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-2-methyl-4,5-di(propan-2-yl)imidazole is sourced from PubChem (CID 170600255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).