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

C15H7Cl2F3N2 — CID 123971580

IUPAC4-chloro-1-(4-chlorophenyl)-5-(2,3,6-trifluorophenyl)imidazole
SMILESFc1ccc(F)c(-c2c(Cl)ncn2-c2ccc(Cl)cc2)c1F
InChIInChI=1S/C15H7Cl2F3N2/c16-8-1-3-9(4-2-8)22-7-21-15(17)14(22)12-10(18)5-6-11(19)13(12)20/h1-7H
InChIKeyFTAMQRGBRGAAAR-UHFFFAOYSA-N
MW343.14 g/mol
LogP5.26
Rot. Bonds2

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

4-chloro-1-(4-chlorophenyl)-5-(2,3,6-trifluorophenyl)imidazole (PubChem CID 123971580) has the molecular formula C15H7Cl2F3N2 and a molecular weight of 343.14 g/mol. Its IUPAC name is 4-chloro-1-(4-chlorophenyl)-5-(2,3,6-trifluorophenyl)imidazole.

Molecular Properties

Compound Name4-chloro-1-(4-chlorophenyl)-5-(2,3,6-trifluorophenyl)imidazole
PubChem CID123971580
Molecular FormulaC15H7Cl2F3N2
Molecular Weight343.14 g/mol
Exact Mass341.99
IUPAC Name4-chloro-1-(4-chlorophenyl)-5-(2,3,6-trifluorophenyl)imidazole
SMILESFc1ccc(F)c(-c2c(Cl)ncn2-c2ccc(Cl)cc2)c1F
InChIInChI=1S/C15H7Cl2F3N2/c16-8-1-3-9(4-2-8)22-7-21-15(17)14(22)12-10(18)5-6-11(19)13(12)20/h1-7H
InChIKeyFTAMQRGBRGAAAR-UHFFFAOYSA-N
XLogP5.26
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.14
LogP ≤ 55.26
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-1-(4-chlorophenyl)-5-(2,3,6-trifluorophenyl)imidazole?
The IUPAC name of 4-chloro-1-(4-chlorophenyl)-5-(2,3,6-trifluorophenyl)imidazole (CID 123971580) is 4-chloro-1-(4-chlorophenyl)-5-(2,3,6-trifluorophenyl)imidazole.
What is the SMILES notation for 4-chloro-1-(4-chlorophenyl)-5-(2,3,6-trifluorophenyl)imidazole?
The canonical SMILES for 4-chloro-1-(4-chlorophenyl)-5-(2,3,6-trifluorophenyl)imidazole is Fc1ccc(F)c(-c2c(Cl)ncn2-c2ccc(Cl)cc2)c1F.
What is the InChIKey of 4-chloro-1-(4-chlorophenyl)-5-(2,3,6-trifluorophenyl)imidazole?
The InChIKey is FTAMQRGBRGAAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Cl2F3N2/c16-8-1-3-9(4-2-8)22-7-21-15(17)14(22)12-10(18)5-6-11(19)13(12)20/h1-7H.
What are the key properties of 4-chloro-1-(4-chlorophenyl)-5-(2,3,6-trifluorophenyl)imidazole?
4-chloro-1-(4-chlorophenyl)-5-(2,3,6-trifluorophenyl)imidazole has a molecular weight of 343.14 g/mol, XLogP of 5.26, 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-(2,3,6-trifluorophenyl)imidazole is sourced from PubChem (CID 123971580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).