1-(4-methoxyphenyl)-2-methylsulfanyl-4-phenylimidazole

C17H16N2OS — CID 4133303

IUPAC1-(4-methoxyphenyl)-2-methylsulfanyl-4-phenylimidazole
SMILESCOc1ccc(-n2cc(-c3ccccc3)nc2SC)cc1
InChIInChI=1S/C17H16N2OS/c1-20-15-10-8-14(9-11-15)19-12-16(18-17(19)21-2)13-6-4-3-5-7-13/h3-12H,1-2H3
InChIKeyAFSQSKCVRDZWHO-UHFFFAOYSA-N
MW296.40 g/mol
LogP4.27
Rot. Bonds4

About 1-(4-methoxyphenyl)-2-methylsulfanyl-4-phenylimidazole

1-(4-methoxyphenyl)-2-methylsulfanyl-4-phenylimidazole (PubChem CID 4133303) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-methylsulfanyl-4-phenylimidazole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-methylsulfanyl-4-phenylimidazole
PubChem CID4133303
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name1-(4-methoxyphenyl)-2-methylsulfanyl-4-phenylimidazole
SMILESCOc1ccc(-n2cc(-c3ccccc3)nc2SC)cc1
InChIInChI=1S/C17H16N2OS/c1-20-15-10-8-14(9-11-15)19-12-16(18-17(19)21-2)13-6-4-3-5-7-13/h3-12H,1-2H3
InChIKeyAFSQSKCVRDZWHO-UHFFFAOYSA-N
XLogP4.27
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Methoxyphenyl)-1H-imidazole
CID 82328
5-(4-methoxyphenyl)-1-methyl-1H-imidazol-2-amine
CID 1132944
2,4-Disubstituted Pyrimidine 2g
CID 5329420
4-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]-1H-imidazole
CID 6539900
2-[3-(4-Imidazol-1-yl-phenoxy)-propyl]-pyridine
CID 44341234
4-[3-(4-Imidazol-1-yl-phenoxy)-propyl]-pyridine
CID 44341260
3-[3-(4-Imidazol-1-yl-phenoxy)-propyl]-pyridine
CID 44341278
1-(4-Methoxybenzyl)-5-phenyl-1H-imidazole
CID 45103811
(3-Methoxy-benzyl)-(1-methyl-5-phenyl-1H-imidazol-2-yl)-amine
CID 1096451
2-(4-chlorophenyl)-1-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium bromide
CID 16682544
1-Benzyl-4-(4-methoxyphenyl)-1h-imidazole
CID 6539910
4-(4-methoxyphenyl)-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-imidazole
CID 6539911

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-methylsulfanyl-4-phenylimidazole?
The IUPAC name of 1-(4-methoxyphenyl)-2-methylsulfanyl-4-phenylimidazole (CID 4133303) is 1-(4-methoxyphenyl)-2-methylsulfanyl-4-phenylimidazole.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-methylsulfanyl-4-phenylimidazole?
The canonical SMILES for 1-(4-methoxyphenyl)-2-methylsulfanyl-4-phenylimidazole is COc1ccc(-n2cc(-c3ccccc3)nc2SC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-methylsulfanyl-4-phenylimidazole?
The InChIKey is AFSQSKCVRDZWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-20-15-10-8-14(9-11-15)19-12-16(18-17(19)21-2)13-6-4-3-5-7-13/h3-12H,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-2-methylsulfanyl-4-phenylimidazole?
1-(4-methoxyphenyl)-2-methylsulfanyl-4-phenylimidazole has a molecular weight of 296.40 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-methylsulfanyl-4-phenylimidazole is sourced from PubChem (CID 4133303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).