5-(difluoromethyl)-1,2-dimethyl-4-propan-2-ylimidazole

C9H14F2N2 — CID 177327700

IUPAC5-(difluoromethyl)-1,2-dimethyl-4-propan-2-ylimidazole
SMILESCc1nc(C(C)C)c(C(F)F)n1C
InChIInChI=1S/C9H14F2N2/c1-5(2)7-8(9(10)11)13(4)6(3)12-7/h5,9H,1-4H3
InChIKeyOCWKEXMLSOTGFX-UHFFFAOYSA-N
MW188.22 g/mol
LogP2.79
Rot. Bonds2

About 5-(difluoromethyl)-1,2-dimethyl-4-propan-2-ylimidazole

5-(difluoromethyl)-1,2-dimethyl-4-propan-2-ylimidazole (PubChem CID 177327700) has the molecular formula C9H14F2N2 and a molecular weight of 188.22 g/mol. Its IUPAC name is 5-(difluoromethyl)-1,2-dimethyl-4-propan-2-ylimidazole.

Molecular Properties

Compound Name5-(difluoromethyl)-1,2-dimethyl-4-propan-2-ylimidazole
PubChem CID177327700
Molecular FormulaC9H14F2N2
Molecular Weight188.22 g/mol
Exact Mass188.11
IUPAC Name5-(difluoromethyl)-1,2-dimethyl-4-propan-2-ylimidazole
SMILESCc1nc(C(C)C)c(C(F)F)n1C
InChIInChI=1S/C9H14F2N2/c1-5(2)7-8(9(10)11)13(4)6(3)12-7/h5,9H,1-4H3
InChIKeyOCWKEXMLSOTGFX-UHFFFAOYSA-N
XLogP2.79
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-1,2-dimethyl-4-propan-2-ylimidazole?
The IUPAC name of 5-(difluoromethyl)-1,2-dimethyl-4-propan-2-ylimidazole (CID 177327700) is 5-(difluoromethyl)-1,2-dimethyl-4-propan-2-ylimidazole.
What is the SMILES notation for 5-(difluoromethyl)-1,2-dimethyl-4-propan-2-ylimidazole?
The canonical SMILES for 5-(difluoromethyl)-1,2-dimethyl-4-propan-2-ylimidazole is Cc1nc(C(C)C)c(C(F)F)n1C.
What is the InChIKey of 5-(difluoromethyl)-1,2-dimethyl-4-propan-2-ylimidazole?
The InChIKey is OCWKEXMLSOTGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2/c1-5(2)7-8(9(10)11)13(4)6(3)12-7/h5,9H,1-4H3.
What are the key properties of 5-(difluoromethyl)-1,2-dimethyl-4-propan-2-ylimidazole?
5-(difluoromethyl)-1,2-dimethyl-4-propan-2-ylimidazole has a molecular weight of 188.22 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-1,2-dimethyl-4-propan-2-ylimidazole is sourced from PubChem (CID 177327700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).