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

C17H15ClN2O2 — CID 68946720

IUPAC5-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)-1H-imidazole
SMILESCOc1ccc(-c2nc[nH]c2-c2ccccc2Cl)cc1OC
InChIInChI=1S/C17H15ClN2O2/c1-21-14-8-7-11(9-15(14)22-2)16-17(20-10-19-16)12-5-3-4-6-13(12)18/h3-10H,1-2H3,(H,19,20)
InChIKeyVPQFAGSGNAGBRN-UHFFFAOYSA-N
MW314.77 g/mol
LogP4.41
Rot. Bonds4

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

5-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)-1H-imidazole (PubChem CID 68946720) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)-1H-imidazole.

Molecular Properties

Compound Name5-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)-1H-imidazole
PubChem CID68946720
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name5-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)-1H-imidazole
SMILESCOc1ccc(-c2nc[nH]c2-c2ccccc2Cl)cc1OC
InChIInChI=1S/C17H15ClN2O2/c1-21-14-8-7-11(9-15(14)22-2)16-17(20-10-19-16)12-5-3-4-6-13(12)18/h3-10H,1-2H3,(H,19,20)
InChIKeyVPQFAGSGNAGBRN-UHFFFAOYSA-N
XLogP4.41
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-3-(3,4-dimethoxyphenyl)pyridine
CID 82087270
1-[2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazol-1-yl]-2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazole
CID 14618329
4-(3,4-dimethoxyphenyl)-1H-imidazole-5-carboxylic acid
CID 82296194
5-chloro-6-(3,4-dimethoxyphenyl)pyridin-3-amine
CID 166595375
[3-(3,4-dimethoxyphenyl)-2-pyridinyl]methanol
CID 54504327
2,5-bis(2-chlorophenyl)-4-(3-methoxy-4-methylphenyl)-1H-imidazole;2-(2-chlorophenyl)-4,5-diphenyl-1H-imidazole;ethane
CID 162284056
1-[2-(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazol-1-yl]-4,5-diphenylimidazole
CID 154000803
4-(4-chloro-3-methoxyphenyl)-5-ethyl-1H-pyrimidin-6-one
CID 136769434
2-[2-(3,4-dimethoxyphenyl)phenyl]-1H-benzimidazole
CID 168554009
1-[5-(2-chlorophenyl)-2-methoxyphenyl]-N,N-dimethylmethanamine
CID 54565431
4-(2-chlorophenyl)-2-methoxybenzoic acid
CID 53225805
disodium;[5-[4-(3,5-dimethoxyphenyl)-1H-imidazol-5-yl]-2-methoxyphenyl] phosphate
CID 77050796

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)-1H-imidazole?
The IUPAC name of 5-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)-1H-imidazole (CID 68946720) is 5-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)-1H-imidazole.
What is the SMILES notation for 5-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)-1H-imidazole?
The canonical SMILES for 5-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)-1H-imidazole is COc1ccc(-c2nc[nH]c2-c2ccccc2Cl)cc1OC.
What is the InChIKey of 5-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)-1H-imidazole?
The InChIKey is VPQFAGSGNAGBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-21-14-8-7-11(9-15(14)22-2)16-17(20-10-19-16)12-5-3-4-6-13(12)18/h3-10H,1-2H3,(H,19,20).
What are the key properties of 5-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)-1H-imidazole?
5-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)-1H-imidazole has a molecular weight of 314.77 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)-1H-imidazole is sourced from PubChem (CID 68946720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).