5-(4-chloro-3-fluorophenyl)-1-methyl-4-(3,4,5-trimethoxyphenyl)imidazole

C19H18ClFN2O3 — CID 56943381

IUPAC5-(4-chloro-3-fluorophenyl)-1-methyl-4-(3,4,5-trimethoxyphenyl)imidazole
SMILESCOc1cc(-c2ncn(C)c2-c2ccc(Cl)c(F)c2)cc(OC)c1OC
InChIInChI=1S/C19H18ClFN2O3/c1-23-10-22-17(18(23)11-5-6-13(20)14(21)7-11)12-8-15(24-2)19(26-4)16(9-12)25-3/h5-10H,1-4H3
InChIKeyOXZQKXROOYCLCY-UHFFFAOYSA-N
MW376.82 g/mol
LogP4.57
Rot. Bonds5

About 5-(4-chloro-3-fluorophenyl)-1-methyl-4-(3,4,5-trimethoxyphenyl)imidazole

5-(4-chloro-3-fluorophenyl)-1-methyl-4-(3,4,5-trimethoxyphenyl)imidazole (PubChem CID 56943381) has the molecular formula C19H18ClFN2O3 and a molecular weight of 376.82 g/mol. Its IUPAC name is 5-(4-chloro-3-fluorophenyl)-1-methyl-4-(3,4,5-trimethoxyphenyl)imidazole.

Molecular Properties

Compound Name5-(4-chloro-3-fluorophenyl)-1-methyl-4-(3,4,5-trimethoxyphenyl)imidazole
PubChem CID56943381
Molecular FormulaC19H18ClFN2O3
Molecular Weight376.82 g/mol
Exact Mass376.10
IUPAC Name5-(4-chloro-3-fluorophenyl)-1-methyl-4-(3,4,5-trimethoxyphenyl)imidazole
SMILESCOc1cc(-c2ncn(C)c2-c2ccc(Cl)c(F)c2)cc(OC)c1OC
InChIInChI=1S/C19H18ClFN2O3/c1-23-10-22-17(18(23)11-5-6-13(20)14(21)7-11)12-8-15(24-2)19(26-4)16(9-12)25-3/h5-10H,1-4H3
InChIKeyOXZQKXROOYCLCY-UHFFFAOYSA-N
XLogP4.57
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.82
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-3-fluorophenyl)-1-methyl-4-(3,4,5-trimethoxyphenyl)imidazole?
The IUPAC name of 5-(4-chloro-3-fluorophenyl)-1-methyl-4-(3,4,5-trimethoxyphenyl)imidazole (CID 56943381) is 5-(4-chloro-3-fluorophenyl)-1-methyl-4-(3,4,5-trimethoxyphenyl)imidazole.
What is the SMILES notation for 5-(4-chloro-3-fluorophenyl)-1-methyl-4-(3,4,5-trimethoxyphenyl)imidazole?
The canonical SMILES for 5-(4-chloro-3-fluorophenyl)-1-methyl-4-(3,4,5-trimethoxyphenyl)imidazole is COc1cc(-c2ncn(C)c2-c2ccc(Cl)c(F)c2)cc(OC)c1OC.
What is the InChIKey of 5-(4-chloro-3-fluorophenyl)-1-methyl-4-(3,4,5-trimethoxyphenyl)imidazole?
The InChIKey is OXZQKXROOYCLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O3/c1-23-10-22-17(18(23)11-5-6-13(20)14(21)7-11)12-8-15(24-2)19(26-4)16(9-12)25-3/h5-10H,1-4H3.
What are the key properties of 5-(4-chloro-3-fluorophenyl)-1-methyl-4-(3,4,5-trimethoxyphenyl)imidazole?
5-(4-chloro-3-fluorophenyl)-1-methyl-4-(3,4,5-trimethoxyphenyl)imidazole has a molecular weight of 376.82 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-3-fluorophenyl)-1-methyl-4-(3,4,5-trimethoxyphenyl)imidazole is sourced from PubChem (CID 56943381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).