5-(3-chloro-2,6-difluorophenyl)-1-(4-chlorophenyl)-4-methylimidazole

C16H10Cl2F2N2 — CID 134330422

IUPAC5-(3-chloro-2,6-difluorophenyl)-1-(4-chlorophenyl)-4-methylimidazole
SMILESCc1ncn(-c2ccc(Cl)cc2)c1-c1c(F)ccc(Cl)c1F
InChIInChI=1S/C16H10Cl2F2N2/c1-9-16(14-13(19)7-6-12(18)15(14)20)22(8-21-9)11-4-2-10(17)3-5-11/h2-8H,1H3
InChIKeyANOJXKHCCKRTSY-UHFFFAOYSA-N
MW339.17 g/mol
LogP5.43
Rot. Bonds2

About 5-(3-chloro-2,6-difluorophenyl)-1-(4-chlorophenyl)-4-methylimidazole

5-(3-chloro-2,6-difluorophenyl)-1-(4-chlorophenyl)-4-methylimidazole (PubChem CID 134330422) has the molecular formula C16H10Cl2F2N2 and a molecular weight of 339.17 g/mol. Its IUPAC name is 5-(3-chloro-2,6-difluorophenyl)-1-(4-chlorophenyl)-4-methylimidazole.

Molecular Properties

Compound Name5-(3-chloro-2,6-difluorophenyl)-1-(4-chlorophenyl)-4-methylimidazole
PubChem CID134330422
Molecular FormulaC16H10Cl2F2N2
Molecular Weight339.17 g/mol
Exact Mass338.02
IUPAC Name5-(3-chloro-2,6-difluorophenyl)-1-(4-chlorophenyl)-4-methylimidazole
SMILESCc1ncn(-c2ccc(Cl)cc2)c1-c1c(F)ccc(Cl)c1F
InChIInChI=1S/C16H10Cl2F2N2/c1-9-16(14-13(19)7-6-12(18)15(14)20)22(8-21-9)11-4-2-10(17)3-5-11/h2-8H,1H3
InChIKeyANOJXKHCCKRTSY-UHFFFAOYSA-N
XLogP5.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.17
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2,6-difluorophenyl)-1-(4-chlorophenyl)-4-methylimidazole?
The IUPAC name of 5-(3-chloro-2,6-difluorophenyl)-1-(4-chlorophenyl)-4-methylimidazole (CID 134330422) is 5-(3-chloro-2,6-difluorophenyl)-1-(4-chlorophenyl)-4-methylimidazole.
What is the SMILES notation for 5-(3-chloro-2,6-difluorophenyl)-1-(4-chlorophenyl)-4-methylimidazole?
The canonical SMILES for 5-(3-chloro-2,6-difluorophenyl)-1-(4-chlorophenyl)-4-methylimidazole is Cc1ncn(-c2ccc(Cl)cc2)c1-c1c(F)ccc(Cl)c1F.
What is the InChIKey of 5-(3-chloro-2,6-difluorophenyl)-1-(4-chlorophenyl)-4-methylimidazole?
The InChIKey is ANOJXKHCCKRTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2F2N2/c1-9-16(14-13(19)7-6-12(18)15(14)20)22(8-21-9)11-4-2-10(17)3-5-11/h2-8H,1H3.
What are the key properties of 5-(3-chloro-2,6-difluorophenyl)-1-(4-chlorophenyl)-4-methylimidazole?
5-(3-chloro-2,6-difluorophenyl)-1-(4-chlorophenyl)-4-methylimidazole has a molecular weight of 339.17 g/mol, XLogP of 5.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2,6-difluorophenyl)-1-(4-chlorophenyl)-4-methylimidazole is sourced from PubChem (CID 134330422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).