2-(3-chlorophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole

C23H19ClN2O2 — CID 1101728

IUPAC2-(3-chlorophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole
SMILESCOc1ccc(-c2nc(-c3cccc(Cl)c3)[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H19ClN2O2/c1-27-19-10-6-15(7-11-19)21-22(16-8-12-20(28-2)13-9-16)26-23(25-21)17-4-3-5-18(24)14-17/h3-14H,1-2H3,(H,25,26)
InChIKeyHIODXJJSHQJBLU-UHFFFAOYSA-N
MW390.87 g/mol
LogP6.08
Rot. Bonds5

About 2-(3-chlorophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole

2-(3-chlorophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole (PubChem CID 1101728) has the molecular formula C23H19ClN2O2 and a molecular weight of 390.87 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole
PubChem CID1101728
Molecular FormulaC23H19ClN2O2
Molecular Weight390.87 g/mol
Exact Mass390.11
IUPAC Name2-(3-chlorophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole
SMILESCOc1ccc(-c2nc(-c3cccc(Cl)c3)[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H19ClN2O2/c1-27-19-10-6-15(7-11-19)21-22(16-8-12-20(28-2)13-9-16)26-23(25-21)17-4-3-5-18(24)14-17/h3-14H,1-2H3,(H,25,26)
InChIKeyHIODXJJSHQJBLU-UHFFFAOYSA-N
XLogP6.08
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.87
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

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Related Compounds

4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 136591177
4,5-bis[4-(4-methoxyphenyl)phenyl]-2-phenyl-1H-imidazole
CID 86068927
4,5-bis(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazole
CID 1101727
4-[2-(3-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]pyridine
CID 10019342
4-[4-(3-chlorophenyl)-2-(3,4-dichlorophenyl)-1H-imidazol-5-yl]pyridine
CID 54172042
2-(4-bromophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole
CID 1101724
4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol
CID 1101726
3-[2-(3-chlorophenyl)-4-phenyl-1H-imidazol-5-yl]-6-[2-(3-chlorophenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one
CID 135498143
5-(4-chlorophenyl)-2-naphthalen-2-yl-4-phenyl-1H-imidazole
CID 138455379
4-(3-chlorophenyl)-5-phenyl-2-[3-(2-phenylethynyl)phenyl]-1H-imidazole
CID 42536097
4-(3,4-dimethylphenyl)-2-(3-methoxyphenyl)-5-phenyl-1H-imidazole
CID 1110224
4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol;ethane
CID 142013542

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole?
The IUPAC name of 2-(3-chlorophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole (CID 1101728) is 2-(3-chlorophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole.
What is the SMILES notation for 2-(3-chlorophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole?
The canonical SMILES for 2-(3-chlorophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole is COc1ccc(-c2nc(-c3cccc(Cl)c3)[nH]c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-(3-chlorophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole?
The InChIKey is HIODXJJSHQJBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O2/c1-27-19-10-6-15(7-11-19)21-22(16-8-12-20(28-2)13-9-16)26-23(25-21)17-4-3-5-18(24)14-17/h3-14H,1-2H3,(H,25,26).
What are the key properties of 2-(3-chlorophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole?
2-(3-chlorophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole has a molecular weight of 390.87 g/mol, XLogP of 6.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole is sourced from PubChem (CID 1101728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).