4-(3,4-dimethylthiophen-2-yl)-1,2-diphenylimidazole

C21H18N2S — CID 140702649

IUPAC4-(3,4-dimethylthiophen-2-yl)-1,2-diphenylimidazole
SMILESCc1csc(-c2cn(-c3ccccc3)c(-c3ccccc3)n2)c1C
InChIInChI=1S/C21H18N2S/c1-15-14-24-20(16(15)2)19-13-23(18-11-7-4-8-12-18)21(22-19)17-9-5-3-6-10-17/h3-14H,1-2H3
InChIKeySPPIXJXZFWPQIT-UHFFFAOYSA-N
MW330.46 g/mol
LogP5.88
Rot. Bonds3

About 4-(3,4-dimethylthiophen-2-yl)-1,2-diphenylimidazole

4-(3,4-dimethylthiophen-2-yl)-1,2-diphenylimidazole (PubChem CID 140702649) has the molecular formula C21H18N2S and a molecular weight of 330.46 g/mol. Its IUPAC name is 4-(3,4-dimethylthiophen-2-yl)-1,2-diphenylimidazole.

Molecular Properties

Compound Name4-(3,4-dimethylthiophen-2-yl)-1,2-diphenylimidazole
PubChem CID140702649
Molecular FormulaC21H18N2S
Molecular Weight330.46 g/mol
Exact Mass330.12
IUPAC Name4-(3,4-dimethylthiophen-2-yl)-1,2-diphenylimidazole
SMILESCc1csc(-c2cn(-c3ccccc3)c(-c3ccccc3)n2)c1C
InChIInChI=1S/C21H18N2S/c1-15-14-24-20(16(15)2)19-13-23(18-11-7-4-8-12-18)21(22-19)17-9-5-3-6-10-17/h3-14H,1-2H3
InChIKeySPPIXJXZFWPQIT-UHFFFAOYSA-N
XLogP5.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.46
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)-2,4-diphenylimidazole
CID 10638706
2-(4-chlorophenyl)-1,4-diphenylimidazole
CID 44632179
1-(4-ethylphenyl)-2,4-diphenylimidazole
CID 173201564
4-(1,2-diphenylimidazol-4-yl)benzonitrile
CID 134854362
CID 157320578
CID 157320578
4-tert-butyl-N-(4-tert-butylphenyl)-N-[4-(2,4-diphenylimidazol-1-yl)phenyl]aniline
CID 170247126
2-(2,4-diphenylimidazol-1-yl)-6-ethylpyridine
CID 58620996
1,2-diphenylimidazole-4-carbonitrile
CID 1234751
2-(3-methylphenyl)-1-phenylimidazole-4-carboxylic acid
CID 82212282
2-[1-phenyl-4-(3-phenylisoquinolin-1-yl)imidazol-2-yl]phenol
CID 171732512
ethane;1-(4-methylsulfonylphenyl)-2-phenyl-4-(trifluoromethyl)imidazole
CID 143007243
1-(4-methoxyphenyl)-2-phenylimidazole-4-carboxylic acid
CID 82212229

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylthiophen-2-yl)-1,2-diphenylimidazole?
The IUPAC name of 4-(3,4-dimethylthiophen-2-yl)-1,2-diphenylimidazole (CID 140702649) is 4-(3,4-dimethylthiophen-2-yl)-1,2-diphenylimidazole.
What is the SMILES notation for 4-(3,4-dimethylthiophen-2-yl)-1,2-diphenylimidazole?
The canonical SMILES for 4-(3,4-dimethylthiophen-2-yl)-1,2-diphenylimidazole is Cc1csc(-c2cn(-c3ccccc3)c(-c3ccccc3)n2)c1C.
What is the InChIKey of 4-(3,4-dimethylthiophen-2-yl)-1,2-diphenylimidazole?
The InChIKey is SPPIXJXZFWPQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2S/c1-15-14-24-20(16(15)2)19-13-23(18-11-7-4-8-12-18)21(22-19)17-9-5-3-6-10-17/h3-14H,1-2H3.
What are the key properties of 4-(3,4-dimethylthiophen-2-yl)-1,2-diphenylimidazole?
4-(3,4-dimethylthiophen-2-yl)-1,2-diphenylimidazole has a molecular weight of 330.46 g/mol, XLogP of 5.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylthiophen-2-yl)-1,2-diphenylimidazole is sourced from PubChem (CID 140702649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).