4-(2,3-dichlorophenyl)-2-(4-methoxyphenyl)-5-methyl-1H-imidazole

C17H14Cl2N2O — CID 73332044

IUPAC4-(2,3-dichlorophenyl)-2-(4-methoxyphenyl)-5-methyl-1H-imidazole
SMILESCOc1ccc(-c2nc(-c3cccc(Cl)c3Cl)c(C)[nH]2)cc1
InChIInChI=1S/C17H14Cl2N2O/c1-10-16(13-4-3-5-14(18)15(13)19)21-17(20-10)11-6-8-12(22-2)9-7-11/h3-9H,1-2H3,(H,20,21)
InChIKeyMRLYQLQOAJHGDD-UHFFFAOYSA-N
MW333.22 g/mol
LogP5.37
Rot. Bonds3

About 4-(2,3-dichlorophenyl)-2-(4-methoxyphenyl)-5-methyl-1H-imidazole

4-(2,3-dichlorophenyl)-2-(4-methoxyphenyl)-5-methyl-1H-imidazole (PubChem CID 73332044) has the molecular formula C17H14Cl2N2O and a molecular weight of 333.22 g/mol. Its IUPAC name is 4-(2,3-dichlorophenyl)-2-(4-methoxyphenyl)-5-methyl-1H-imidazole.

Molecular Properties

Compound Name4-(2,3-dichlorophenyl)-2-(4-methoxyphenyl)-5-methyl-1H-imidazole
PubChem CID73332044
Molecular FormulaC17H14Cl2N2O
Molecular Weight333.22 g/mol
Exact Mass332.05
IUPAC Name4-(2,3-dichlorophenyl)-2-(4-methoxyphenyl)-5-methyl-1H-imidazole
SMILESCOc1ccc(-c2nc(-c3cccc(Cl)c3Cl)c(C)[nH]2)cc1
InChIInChI=1S/C17H14Cl2N2O/c1-10-16(13-4-3-5-14(18)15(13)19)21-17(20-10)11-6-8-12(22-2)9-7-11/h3-9H,1-2H3,(H,20,21)
InChIKeyMRLYQLQOAJHGDD-UHFFFAOYSA-N
XLogP5.37
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.22
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,3-dichlorophenyl)-5-methyl-2-(1H-pyrrol-2-yl)-1H-imidazole
CID 150495232
2-(4-methoxyphenyl)-5-methyl-4-[4-[[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenyl]methyl]phenyl]-1H-imidazole
CID 142406883
2-(2,3-dichlorophenyl)-4-methoxy-6-methylpyridine
CID 118813607
2-chloro-4-(4-methoxyphenyl)-5-methyl-1H-imidazole
CID 105480004
4-(4-chlorophenyl)-2-(4-methoxyphenyl)-1H-benzimidazole
CID 67701746
4-(chloromethyl)-2-(4-methoxyphenyl)-5-methyl-1H-imidazole;hydrochloride
CID 22412365
1,2-dichlorobenzene;1-methoxy-4-methylbenzene
CID 158750380
4,5-bis(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazole
CID 1101727
2-(2-chloro-6-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazole-5-carboxamide
CID 59587669
4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 136591177
[2-(4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanamine
CID 82285142
2-(3-chlorophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole
CID 1101728

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichlorophenyl)-2-(4-methoxyphenyl)-5-methyl-1H-imidazole?
The IUPAC name of 4-(2,3-dichlorophenyl)-2-(4-methoxyphenyl)-5-methyl-1H-imidazole (CID 73332044) is 4-(2,3-dichlorophenyl)-2-(4-methoxyphenyl)-5-methyl-1H-imidazole.
What is the SMILES notation for 4-(2,3-dichlorophenyl)-2-(4-methoxyphenyl)-5-methyl-1H-imidazole?
The canonical SMILES for 4-(2,3-dichlorophenyl)-2-(4-methoxyphenyl)-5-methyl-1H-imidazole is COc1ccc(-c2nc(-c3cccc(Cl)c3Cl)c(C)[nH]2)cc1.
What is the InChIKey of 4-(2,3-dichlorophenyl)-2-(4-methoxyphenyl)-5-methyl-1H-imidazole?
The InChIKey is MRLYQLQOAJHGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O/c1-10-16(13-4-3-5-14(18)15(13)19)21-17(20-10)11-6-8-12(22-2)9-7-11/h3-9H,1-2H3,(H,20,21).
What are the key properties of 4-(2,3-dichlorophenyl)-2-(4-methoxyphenyl)-5-methyl-1H-imidazole?
4-(2,3-dichlorophenyl)-2-(4-methoxyphenyl)-5-methyl-1H-imidazole has a molecular weight of 333.22 g/mol, XLogP of 5.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichlorophenyl)-2-(4-methoxyphenyl)-5-methyl-1H-imidazole is sourced from PubChem (CID 73332044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).