2-chloro-1-(4-chloro-3-fluorophenyl)-5-(2,6-difluoro-3-methoxyphenyl)imidazole

C16H9Cl2F3N2O — CID 66897358

IUPAC2-chloro-1-(4-chloro-3-fluorophenyl)-5-(2,6-difluoro-3-methoxyphenyl)imidazole
SMILESCOc1ccc(F)c(-c2cnc(Cl)n2-c2ccc(Cl)c(F)c2)c1F
InChIInChI=1S/C16H9Cl2F3N2O/c1-24-13-5-4-10(19)14(15(13)21)12-7-22-16(18)23(12)8-2-3-9(17)11(20)6-8/h2-7H,1H3
InChIKeyCOTBLONMLONQHU-UHFFFAOYSA-N
MW373.16 g/mol
LogP5.27
Rot. Bonds3

About 2-chloro-1-(4-chloro-3-fluorophenyl)-5-(2,6-difluoro-3-methoxyphenyl)imidazole

2-chloro-1-(4-chloro-3-fluorophenyl)-5-(2,6-difluoro-3-methoxyphenyl)imidazole (PubChem CID 66897358) has the molecular formula C16H9Cl2F3N2O and a molecular weight of 373.16 g/mol. Its IUPAC name is 2-chloro-1-(4-chloro-3-fluorophenyl)-5-(2,6-difluoro-3-methoxyphenyl)imidazole.

Molecular Properties

Compound Name2-chloro-1-(4-chloro-3-fluorophenyl)-5-(2,6-difluoro-3-methoxyphenyl)imidazole
PubChem CID66897358
Molecular FormulaC16H9Cl2F3N2O
Molecular Weight373.16 g/mol
Exact Mass372.00
IUPAC Name2-chloro-1-(4-chloro-3-fluorophenyl)-5-(2,6-difluoro-3-methoxyphenyl)imidazole
SMILESCOc1ccc(F)c(-c2cnc(Cl)n2-c2ccc(Cl)c(F)c2)c1F
InChIInChI=1S/C16H9Cl2F3N2O/c1-24-13-5-4-10(19)14(15(13)21)12-7-22-16(18)23(12)8-2-3-9(17)11(20)6-8/h2-7H,1H3
InChIKeyCOTBLONMLONQHU-UHFFFAOYSA-N
XLogP5.27
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.16
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(4-chloro-3-fluorophenyl)-5-(2,6-difluoro-3-methoxyphenyl)imidazole?
The IUPAC name of 2-chloro-1-(4-chloro-3-fluorophenyl)-5-(2,6-difluoro-3-methoxyphenyl)imidazole (CID 66897358) is 2-chloro-1-(4-chloro-3-fluorophenyl)-5-(2,6-difluoro-3-methoxyphenyl)imidazole.
What is the SMILES notation for 2-chloro-1-(4-chloro-3-fluorophenyl)-5-(2,6-difluoro-3-methoxyphenyl)imidazole?
The canonical SMILES for 2-chloro-1-(4-chloro-3-fluorophenyl)-5-(2,6-difluoro-3-methoxyphenyl)imidazole is COc1ccc(F)c(-c2cnc(Cl)n2-c2ccc(Cl)c(F)c2)c1F.
What is the InChIKey of 2-chloro-1-(4-chloro-3-fluorophenyl)-5-(2,6-difluoro-3-methoxyphenyl)imidazole?
The InChIKey is COTBLONMLONQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2F3N2O/c1-24-13-5-4-10(19)14(15(13)21)12-7-22-16(18)23(12)8-2-3-9(17)11(20)6-8/h2-7H,1H3.
What are the key properties of 2-chloro-1-(4-chloro-3-fluorophenyl)-5-(2,6-difluoro-3-methoxyphenyl)imidazole?
2-chloro-1-(4-chloro-3-fluorophenyl)-5-(2,6-difluoro-3-methoxyphenyl)imidazole has a molecular weight of 373.16 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(4-chloro-3-fluorophenyl)-5-(2,6-difluoro-3-methoxyphenyl)imidazole is sourced from PubChem (CID 66897358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).