5-(2,4-dichlorophenyl)-2-[(4-methoxyphenyl)methyl]-1H-imidazole

C17H14Cl2N2O — CID 18755567

IUPAC5-(2,4-dichlorophenyl)-2-[(4-methoxyphenyl)methyl]-1H-imidazole
SMILESCOc1ccc(Cc2ncc(-c3ccc(Cl)cc3Cl)[nH]2)cc1
InChIInChI=1S/C17H14Cl2N2O/c1-22-13-5-2-11(3-6-13)8-17-20-10-16(21-17)14-7-4-12(18)9-15(14)19/h2-7,9-10H,8H2,1H3,(H,20,21)
InChIKeyYELUHQCLDALIGN-UHFFFAOYSA-N
MW333.22 g/mol
LogP4.98
Rot. Bonds4

About 5-(2,4-dichlorophenyl)-2-[(4-methoxyphenyl)methyl]-1H-imidazole

5-(2,4-dichlorophenyl)-2-[(4-methoxyphenyl)methyl]-1H-imidazole (PubChem CID 18755567) has the molecular formula C17H14Cl2N2O and a molecular weight of 333.22 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-2-[(4-methoxyphenyl)methyl]-1H-imidazole.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-2-[(4-methoxyphenyl)methyl]-1H-imidazole
PubChem CID18755567
Molecular FormulaC17H14Cl2N2O
Molecular Weight333.22 g/mol
Exact Mass332.05
IUPAC Name5-(2,4-dichlorophenyl)-2-[(4-methoxyphenyl)methyl]-1H-imidazole
SMILESCOc1ccc(Cc2ncc(-c3ccc(Cl)cc3Cl)[nH]2)cc1
InChIInChI=1S/C17H14Cl2N2O/c1-22-13-5-2-11(3-6-13)8-17-20-10-16(21-17)14-7-4-12(18)9-15(14)19/h2-7,9-10H,8H2,1H3,(H,20,21)
InChIKeyYELUHQCLDALIGN-UHFFFAOYSA-N
XLogP4.98
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-2-[(4-methoxyphenyl)methyl]-1H-imidazole?
The IUPAC name of 5-(2,4-dichlorophenyl)-2-[(4-methoxyphenyl)methyl]-1H-imidazole (CID 18755567) is 5-(2,4-dichlorophenyl)-2-[(4-methoxyphenyl)methyl]-1H-imidazole.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-2-[(4-methoxyphenyl)methyl]-1H-imidazole?
The canonical SMILES for 5-(2,4-dichlorophenyl)-2-[(4-methoxyphenyl)methyl]-1H-imidazole is COc1ccc(Cc2ncc(-c3ccc(Cl)cc3Cl)[nH]2)cc1.
What is the InChIKey of 5-(2,4-dichlorophenyl)-2-[(4-methoxyphenyl)methyl]-1H-imidazole?
The InChIKey is YELUHQCLDALIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O/c1-22-13-5-2-11(3-6-13)8-17-20-10-16(21-17)14-7-4-12(18)9-15(14)19/h2-7,9-10H,8H2,1H3,(H,20,21).
What are the key properties of 5-(2,4-dichlorophenyl)-2-[(4-methoxyphenyl)methyl]-1H-imidazole?
5-(2,4-dichlorophenyl)-2-[(4-methoxyphenyl)methyl]-1H-imidazole has a molecular weight of 333.22 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-2-[(4-methoxyphenyl)methyl]-1H-imidazole is sourced from PubChem (CID 18755567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).