1-(4-chlorophenyl)-5-(difluoromethyl)-2-methylimidazole

C11H9ClF2N2 — CID 23727897

IUPAC1-(4-chlorophenyl)-5-(difluoromethyl)-2-methylimidazole
SMILESCc1ncc(C(F)F)n1-c1ccc(Cl)cc1
InChIInChI=1S/C11H9ClF2N2/c1-7-15-6-10(11(13)14)16(7)9-4-2-8(12)3-5-9/h2-6,11H,1H3
InChIKeyBLGPFLFJGMZWIP-UHFFFAOYSA-N
MW242.66 g/mol
LogP3.77
Rot. Bonds2

About 1-(4-chlorophenyl)-5-(difluoromethyl)-2-methylimidazole

1-(4-chlorophenyl)-5-(difluoromethyl)-2-methylimidazole (PubChem CID 23727897) has the molecular formula C11H9ClF2N2 and a molecular weight of 242.66 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-(difluoromethyl)-2-methylimidazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-(difluoromethyl)-2-methylimidazole
PubChem CID23727897
Molecular FormulaC11H9ClF2N2
Molecular Weight242.66 g/mol
Exact Mass242.04
IUPAC Name1-(4-chlorophenyl)-5-(difluoromethyl)-2-methylimidazole
SMILESCc1ncc(C(F)F)n1-c1ccc(Cl)cc1
InChIInChI=1S/C11H9ClF2N2/c1-7-15-6-10(11(13)14)16(7)9-4-2-8(12)3-5-9/h2-6,11H,1H3
InChIKeyBLGPFLFJGMZWIP-UHFFFAOYSA-N
XLogP3.77
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-(difluoromethyl)-2-methylimidazole?
The IUPAC name of 1-(4-chlorophenyl)-5-(difluoromethyl)-2-methylimidazole (CID 23727897) is 1-(4-chlorophenyl)-5-(difluoromethyl)-2-methylimidazole.
What is the SMILES notation for 1-(4-chlorophenyl)-5-(difluoromethyl)-2-methylimidazole?
The canonical SMILES for 1-(4-chlorophenyl)-5-(difluoromethyl)-2-methylimidazole is Cc1ncc(C(F)F)n1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-(difluoromethyl)-2-methylimidazole?
The InChIKey is BLGPFLFJGMZWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF2N2/c1-7-15-6-10(11(13)14)16(7)9-4-2-8(12)3-5-9/h2-6,11H,1H3.
What are the key properties of 1-(4-chlorophenyl)-5-(difluoromethyl)-2-methylimidazole?
1-(4-chlorophenyl)-5-(difluoromethyl)-2-methylimidazole has a molecular weight of 242.66 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-(difluoromethyl)-2-methylimidazole is sourced from PubChem (CID 23727897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).