2-chloro-4-(4-methoxyphenyl)-5-methyl-1H-imidazole

C11H11ClN2O — CID 105480004

IUPAC2-chloro-4-(4-methoxyphenyl)-5-methyl-1H-imidazole
SMILESCOc1ccc(-c2nc(Cl)[nH]c2C)cc1
InChIInChI=1S/C11H11ClN2O/c1-7-10(14-11(12)13-7)8-3-5-9(15-2)6-4-8/h3-6H,1-2H3,(H,13,14)
InChIKeyFBAPEQMGRBAIAW-UHFFFAOYSA-N
MW222.68 g/mol
LogP3.05
Rot. Bonds2

About 2-chloro-4-(4-methoxyphenyl)-5-methyl-1H-imidazole

2-chloro-4-(4-methoxyphenyl)-5-methyl-1H-imidazole (PubChem CID 105480004) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 2-chloro-4-(4-methoxyphenyl)-5-methyl-1H-imidazole.

Molecular Properties

Compound Name2-chloro-4-(4-methoxyphenyl)-5-methyl-1H-imidazole
PubChem CID105480004
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name2-chloro-4-(4-methoxyphenyl)-5-methyl-1H-imidazole
SMILESCOc1ccc(-c2nc(Cl)[nH]c2C)cc1
InChIInChI=1S/C11H11ClN2O/c1-7-10(14-11(12)13-7)8-3-5-9(15-2)6-4-8/h3-6H,1-2H3,(H,13,14)
InChIKeyFBAPEQMGRBAIAW-UHFFFAOYSA-N
XLogP3.05
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4,5-bis(4-methoxyphenyl)-1H-imidazole;hydrochloride
CID 13394256
5-chloro-4-(4-methoxyphenyl)-2-methyl-1H-imidazole
CID 54002462
2-chloro-4-(4-methoxyphenyl)-5-methyl-1,3-thiazole
CID 62942162
2,3-bis(4-methoxyphenyl)-5,6-dimethylpyrazine
CID 14100167
4,5-bis(4-methoxyphenyl)-2H-triazole
CID 24807682
2-(4-methoxyphenyl)-5-methyl-4-[4-[[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenyl]methyl]phenyl]-1H-imidazole
CID 142406883
4-(2,3-dichlorophenyl)-2-(4-methoxyphenyl)-5-methyl-1H-imidazole
CID 73332044
2-chloro-4-(4-methoxyphenyl)-1H-benzimidazole
CID 121320344
4,5-bis(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazole
CID 1101727
4,5-dichloro-3-(4-methoxyphenyl)-1,2-oxazole
CID 131867696
2-bromo-4-(4-chlorophenyl)-5-methyl-1H-imidazole
CID 83664346
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-methoxyphenyl)-5-methyl-1H-imidazole?
The IUPAC name of 2-chloro-4-(4-methoxyphenyl)-5-methyl-1H-imidazole (CID 105480004) is 2-chloro-4-(4-methoxyphenyl)-5-methyl-1H-imidazole.
What is the SMILES notation for 2-chloro-4-(4-methoxyphenyl)-5-methyl-1H-imidazole?
The canonical SMILES for 2-chloro-4-(4-methoxyphenyl)-5-methyl-1H-imidazole is COc1ccc(-c2nc(Cl)[nH]c2C)cc1.
What is the InChIKey of 2-chloro-4-(4-methoxyphenyl)-5-methyl-1H-imidazole?
The InChIKey is FBAPEQMGRBAIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-7-10(14-11(12)13-7)8-3-5-9(15-2)6-4-8/h3-6H,1-2H3,(H,13,14).
What are the key properties of 2-chloro-4-(4-methoxyphenyl)-5-methyl-1H-imidazole?
2-chloro-4-(4-methoxyphenyl)-5-methyl-1H-imidazole has a molecular weight of 222.68 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-methoxyphenyl)-5-methyl-1H-imidazole is sourced from PubChem (CID 105480004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).