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

C15H8Cl2F2N2 — CID 123288456

IUPAC4-chloro-1-(4-chlorophenyl)-5-(2,6-difluorophenyl)imidazole
SMILESFc1cccc(F)c1-c1c(Cl)ncn1-c1ccc(Cl)cc1
InChIInChI=1S/C15H8Cl2F2N2/c16-9-4-6-10(7-5-9)21-8-20-15(17)14(21)13-11(18)2-1-3-12(13)19/h1-8H
InChIKeyQSTDQDHFRPFWFR-UHFFFAOYSA-N
MW325.15 g/mol
LogP5.12
Rot. Bonds2

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

4-chloro-1-(4-chlorophenyl)-5-(2,6-difluorophenyl)imidazole (PubChem CID 123288456) has the molecular formula C15H8Cl2F2N2 and a molecular weight of 325.15 g/mol. Its IUPAC name is 4-chloro-1-(4-chlorophenyl)-5-(2,6-difluorophenyl)imidazole.

Molecular Properties

Compound Name4-chloro-1-(4-chlorophenyl)-5-(2,6-difluorophenyl)imidazole
PubChem CID123288456
Molecular FormulaC15H8Cl2F2N2
Molecular Weight325.15 g/mol
Exact Mass324.00
IUPAC Name4-chloro-1-(4-chlorophenyl)-5-(2,6-difluorophenyl)imidazole
SMILESFc1cccc(F)c1-c1c(Cl)ncn1-c1ccc(Cl)cc1
InChIInChI=1S/C15H8Cl2F2N2/c16-9-4-6-10(7-5-9)21-8-20-15(17)14(21)13-11(18)2-1-3-12(13)19/h1-8H
InChIKeyQSTDQDHFRPFWFR-UHFFFAOYSA-N
XLogP5.12
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.15
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(4-chlorophenyl)-5-(2,6-difluorophenyl)imidazole?
The IUPAC name of 4-chloro-1-(4-chlorophenyl)-5-(2,6-difluorophenyl)imidazole (CID 123288456) is 4-chloro-1-(4-chlorophenyl)-5-(2,6-difluorophenyl)imidazole.
What is the SMILES notation for 4-chloro-1-(4-chlorophenyl)-5-(2,6-difluorophenyl)imidazole?
The canonical SMILES for 4-chloro-1-(4-chlorophenyl)-5-(2,6-difluorophenyl)imidazole is Fc1cccc(F)c1-c1c(Cl)ncn1-c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-1-(4-chlorophenyl)-5-(2,6-difluorophenyl)imidazole?
The InChIKey is QSTDQDHFRPFWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2F2N2/c16-9-4-6-10(7-5-9)21-8-20-15(17)14(21)13-11(18)2-1-3-12(13)19/h1-8H.
What are the key properties of 4-chloro-1-(4-chlorophenyl)-5-(2,6-difluorophenyl)imidazole?
4-chloro-1-(4-chlorophenyl)-5-(2,6-difluorophenyl)imidazole has a molecular weight of 325.15 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(4-chlorophenyl)-5-(2,6-difluorophenyl)imidazole is sourced from PubChem (CID 123288456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).