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

C15H7Cl3F2N2 — CID 134330483

IUPAC4-chloro-5-(3-chloro-2,6-difluorophenyl)-1-(4-chlorophenyl)imidazole
SMILESFc1ccc(Cl)c(F)c1-c1c(Cl)ncn1-c1ccc(Cl)cc1
InChIInChI=1S/C15H7Cl3F2N2/c16-8-1-3-9(4-2-8)22-7-21-15(18)14(22)12-11(19)6-5-10(17)13(12)20/h1-7H
InChIKeyKBHZNYWCYYKEGH-UHFFFAOYSA-N
MW359.59 g/mol
LogP5.78
Rot. Bonds2

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

4-chloro-5-(3-chloro-2,6-difluorophenyl)-1-(4-chlorophenyl)imidazole (PubChem CID 134330483) has the molecular formula C15H7Cl3F2N2 and a molecular weight of 359.59 g/mol. Its IUPAC name is 4-chloro-5-(3-chloro-2,6-difluorophenyl)-1-(4-chlorophenyl)imidazole.

Molecular Properties

Compound Name4-chloro-5-(3-chloro-2,6-difluorophenyl)-1-(4-chlorophenyl)imidazole
PubChem CID134330483
Molecular FormulaC15H7Cl3F2N2
Molecular Weight359.59 g/mol
Exact Mass357.96
IUPAC Name4-chloro-5-(3-chloro-2,6-difluorophenyl)-1-(4-chlorophenyl)imidazole
SMILESFc1ccc(Cl)c(F)c1-c1c(Cl)ncn1-c1ccc(Cl)cc1
InChIInChI=1S/C15H7Cl3F2N2/c16-8-1-3-9(4-2-8)22-7-21-15(18)14(22)12-11(19)6-5-10(17)13(12)20/h1-7H
InChIKeyKBHZNYWCYYKEGH-UHFFFAOYSA-N
XLogP5.78
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.59
LogP ≤ 55.78
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 4-chloro-5-(3-chloro-2,6-difluorophenyl)-1-(4-chlorophenyl)imidazole?
The IUPAC name of 4-chloro-5-(3-chloro-2,6-difluorophenyl)-1-(4-chlorophenyl)imidazole (CID 134330483) is 4-chloro-5-(3-chloro-2,6-difluorophenyl)-1-(4-chlorophenyl)imidazole.
What is the SMILES notation for 4-chloro-5-(3-chloro-2,6-difluorophenyl)-1-(4-chlorophenyl)imidazole?
The canonical SMILES for 4-chloro-5-(3-chloro-2,6-difluorophenyl)-1-(4-chlorophenyl)imidazole is Fc1ccc(Cl)c(F)c1-c1c(Cl)ncn1-c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-5-(3-chloro-2,6-difluorophenyl)-1-(4-chlorophenyl)imidazole?
The InChIKey is KBHZNYWCYYKEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Cl3F2N2/c16-8-1-3-9(4-2-8)22-7-21-15(18)14(22)12-11(19)6-5-10(17)13(12)20/h1-7H.
What are the key properties of 4-chloro-5-(3-chloro-2,6-difluorophenyl)-1-(4-chlorophenyl)imidazole?
4-chloro-5-(3-chloro-2,6-difluorophenyl)-1-(4-chlorophenyl)imidazole has a molecular weight of 359.59 g/mol, XLogP of 5.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(3-chloro-2,6-difluorophenyl)-1-(4-chlorophenyl)imidazole is sourced from PubChem (CID 134330483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).