5-(2-chloro-4-methylphenyl)-2-[(E)-2-[4-(3-methoxyphenyl)phenyl]ethenyl]-1H-imidazole

C25H21ClN2O — CID 142933571

IUPAC5-(2-chloro-4-methylphenyl)-2-[(E)-2-[4-(3-methoxyphenyl)phenyl]ethenyl]-1H-imidazole
SMILESCOc1cccc(-c2ccc(/C=C/c3ncc(-c4ccc(C)cc4Cl)[nH]3)cc2)c1
InChIInChI=1S/C25H21ClN2O/c1-17-6-12-22(23(26)14-17)24-16-27-25(28-24)13-9-18-7-10-19(11-8-18)20-4-3-5-21(15-20)29-2/h3-16H,1-2H3,(H,27,28)/b13-9+
InChIKeyJGFYWIUOUPDMSQ-UKTHLTGXSA-N
MW400.91 g/mol
LogP6.88
Rot. Bonds5

About 5-(2-chloro-4-methylphenyl)-2-[(E)-2-[4-(3-methoxyphenyl)phenyl]ethenyl]-1H-imidazole

5-(2-chloro-4-methylphenyl)-2-[(E)-2-[4-(3-methoxyphenyl)phenyl]ethenyl]-1H-imidazole (PubChem CID 142933571) has the molecular formula C25H21ClN2O and a molecular weight of 400.91 g/mol. Its IUPAC name is 5-(2-chloro-4-methylphenyl)-2-[(E)-2-[4-(3-methoxyphenyl)phenyl]ethenyl]-1H-imidazole.

Molecular Properties

Compound Name5-(2-chloro-4-methylphenyl)-2-[(E)-2-[4-(3-methoxyphenyl)phenyl]ethenyl]-1H-imidazole
PubChem CID142933571
Molecular FormulaC25H21ClN2O
Molecular Weight400.91 g/mol
Exact Mass400.13
IUPAC Name5-(2-chloro-4-methylphenyl)-2-[(E)-2-[4-(3-methoxyphenyl)phenyl]ethenyl]-1H-imidazole
SMILESCOc1cccc(-c2ccc(/C=C/c3ncc(-c4ccc(C)cc4Cl)[nH]3)cc2)c1
InChIInChI=1S/C25H21ClN2O/c1-17-6-12-22(23(26)14-17)24-16-27-25(28-24)13-9-18-7-10-19(11-8-18)20-4-3-5-21(15-20)29-2/h3-16H,1-2H3,(H,27,28)/b13-9+
InChIKeyJGFYWIUOUPDMSQ-UKTHLTGXSA-N
XLogP6.88
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.91
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-methylphenyl)-2-[(E)-2-[4-(3-methoxyphenyl)phenyl]ethenyl]-1H-imidazole?
The IUPAC name of 5-(2-chloro-4-methylphenyl)-2-[(E)-2-[4-(3-methoxyphenyl)phenyl]ethenyl]-1H-imidazole (CID 142933571) is 5-(2-chloro-4-methylphenyl)-2-[(E)-2-[4-(3-methoxyphenyl)phenyl]ethenyl]-1H-imidazole.
What is the SMILES notation for 5-(2-chloro-4-methylphenyl)-2-[(E)-2-[4-(3-methoxyphenyl)phenyl]ethenyl]-1H-imidazole?
The canonical SMILES for 5-(2-chloro-4-methylphenyl)-2-[(E)-2-[4-(3-methoxyphenyl)phenyl]ethenyl]-1H-imidazole is COc1cccc(-c2ccc(/C=C/c3ncc(-c4ccc(C)cc4Cl)[nH]3)cc2)c1.
What is the InChIKey of 5-(2-chloro-4-methylphenyl)-2-[(E)-2-[4-(3-methoxyphenyl)phenyl]ethenyl]-1H-imidazole?
The InChIKey is JGFYWIUOUPDMSQ-UKTHLTGXSA-N. The full InChI is InChI=1S/C25H21ClN2O/c1-17-6-12-22(23(26)14-17)24-16-27-25(28-24)13-9-18-7-10-19(11-8-18)20-4-3-5-21(15-20)29-2/h3-16H,1-2H3,(H,27,28)/b13-9+.
What are the key properties of 5-(2-chloro-4-methylphenyl)-2-[(E)-2-[4-(3-methoxyphenyl)phenyl]ethenyl]-1H-imidazole?
5-(2-chloro-4-methylphenyl)-2-[(E)-2-[4-(3-methoxyphenyl)phenyl]ethenyl]-1H-imidazole has a molecular weight of 400.91 g/mol, XLogP of 6.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-methylphenyl)-2-[(E)-2-[4-(3-methoxyphenyl)phenyl]ethenyl]-1H-imidazole is sourced from PubChem (CID 142933571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).