1-(4-chlorophenyl)-5-(4-methoxyphenyl)imidazole

C16H13ClN2O — CID 11173650

IUPAC1-(4-chlorophenyl)-5-(4-methoxyphenyl)imidazole
SMILESCOc1ccc(-c2cncn2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H13ClN2O/c1-20-15-8-2-12(3-9-15)16-10-18-11-19(16)14-6-4-13(17)5-7-14/h2-11H,1H3
InChIKeyWPTMTZVMWYQBQU-UHFFFAOYSA-N
MW284.75 g/mol
LogP4.20
Rot. Bonds3

About 1-(4-chlorophenyl)-5-(4-methoxyphenyl)imidazole

1-(4-chlorophenyl)-5-(4-methoxyphenyl)imidazole (PubChem CID 11173650) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-(4-methoxyphenyl)imidazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-(4-methoxyphenyl)imidazole
PubChem CID11173650
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name1-(4-chlorophenyl)-5-(4-methoxyphenyl)imidazole
SMILESCOc1ccc(-c2cncn2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H13ClN2O/c1-20-15-8-2-12(3-9-15)16-10-18-11-19(16)14-6-4-13(17)5-7-14/h2-11H,1H3
InChIKeyWPTMTZVMWYQBQU-UHFFFAOYSA-N
XLogP4.20
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-(4-methoxyphenyl)imidazole?
The IUPAC name of 1-(4-chlorophenyl)-5-(4-methoxyphenyl)imidazole (CID 11173650) is 1-(4-chlorophenyl)-5-(4-methoxyphenyl)imidazole.
What is the SMILES notation for 1-(4-chlorophenyl)-5-(4-methoxyphenyl)imidazole?
The canonical SMILES for 1-(4-chlorophenyl)-5-(4-methoxyphenyl)imidazole is COc1ccc(-c2cncn2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-(4-methoxyphenyl)imidazole?
The InChIKey is WPTMTZVMWYQBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-20-15-8-2-12(3-9-15)16-10-18-11-19(16)14-6-4-13(17)5-7-14/h2-11H,1H3.
What are the key properties of 1-(4-chlorophenyl)-5-(4-methoxyphenyl)imidazole?
1-(4-chlorophenyl)-5-(4-methoxyphenyl)imidazole has a molecular weight of 284.75 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-(4-methoxyphenyl)imidazole is sourced from PubChem (CID 11173650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).