4-(2-chloro-4-methoxyphenyl)-5-(2,6-dichloro-4-methoxyphenyl)-1H-imidazole

C17H13Cl3N2O2 — CID 10606651

IUPAC4-(2-chloro-4-methoxyphenyl)-5-(2,6-dichloro-4-methoxyphenyl)-1H-imidazole
SMILESCOc1ccc(-c2nc[nH]c2-c2c(Cl)cc(OC)cc2Cl)c(Cl)c1
InChIInChI=1S/C17H13Cl3N2O2/c1-23-9-3-4-11(12(18)5-9)16-17(22-8-21-16)15-13(19)6-10(24-2)7-14(15)20/h3-8H,1-2H3,(H,21,22)
InChIKeyHLSBNKXUMJYLNV-UHFFFAOYSA-N
MW383.66 g/mol
LogP5.72
Rot. Bonds4

About 4-(2-chloro-4-methoxyphenyl)-5-(2,6-dichloro-4-methoxyphenyl)-1H-imidazole

4-(2-chloro-4-methoxyphenyl)-5-(2,6-dichloro-4-methoxyphenyl)-1H-imidazole (PubChem CID 10606651) has the molecular formula C17H13Cl3N2O2 and a molecular weight of 383.66 g/mol. Its IUPAC name is 4-(2-chloro-4-methoxyphenyl)-5-(2,6-dichloro-4-methoxyphenyl)-1H-imidazole.

Molecular Properties

Compound Name4-(2-chloro-4-methoxyphenyl)-5-(2,6-dichloro-4-methoxyphenyl)-1H-imidazole
PubChem CID10606651
Molecular FormulaC17H13Cl3N2O2
Molecular Weight383.66 g/mol
Exact Mass382.00
IUPAC Name4-(2-chloro-4-methoxyphenyl)-5-(2,6-dichloro-4-methoxyphenyl)-1H-imidazole
SMILESCOc1ccc(-c2nc[nH]c2-c2c(Cl)cc(OC)cc2Cl)c(Cl)c1
InChIInChI=1S/C17H13Cl3N2O2/c1-23-9-3-4-11(12(18)5-9)16-17(22-8-21-16)15-13(19)6-10(24-2)7-14(15)20/h3-8H,1-2H3,(H,21,22)
InChIKeyHLSBNKXUMJYLNV-UHFFFAOYSA-N
XLogP5.72
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.66
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-methoxyphenyl)-5-(2,6-dichloro-4-methoxyphenyl)-1H-imidazole?
The IUPAC name of 4-(2-chloro-4-methoxyphenyl)-5-(2,6-dichloro-4-methoxyphenyl)-1H-imidazole (CID 10606651) is 4-(2-chloro-4-methoxyphenyl)-5-(2,6-dichloro-4-methoxyphenyl)-1H-imidazole.
What is the SMILES notation for 4-(2-chloro-4-methoxyphenyl)-5-(2,6-dichloro-4-methoxyphenyl)-1H-imidazole?
The canonical SMILES for 4-(2-chloro-4-methoxyphenyl)-5-(2,6-dichloro-4-methoxyphenyl)-1H-imidazole is COc1ccc(-c2nc[nH]c2-c2c(Cl)cc(OC)cc2Cl)c(Cl)c1.
What is the InChIKey of 4-(2-chloro-4-methoxyphenyl)-5-(2,6-dichloro-4-methoxyphenyl)-1H-imidazole?
The InChIKey is HLSBNKXUMJYLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl3N2O2/c1-23-9-3-4-11(12(18)5-9)16-17(22-8-21-16)15-13(19)6-10(24-2)7-14(15)20/h3-8H,1-2H3,(H,21,22).
What are the key properties of 4-(2-chloro-4-methoxyphenyl)-5-(2,6-dichloro-4-methoxyphenyl)-1H-imidazole?
4-(2-chloro-4-methoxyphenyl)-5-(2,6-dichloro-4-methoxyphenyl)-1H-imidazole has a molecular weight of 383.66 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-methoxyphenyl)-5-(2,6-dichloro-4-methoxyphenyl)-1H-imidazole is sourced from PubChem (CID 10606651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).