2-benzylsulfanyl-4,5-diphenyl-1-propylimidazole

C25H24N2S — CID 3323531

IUPAC2-benzylsulfanyl-4,5-diphenyl-1-propylimidazole
SMILESCCCn1c(SCc2ccccc2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C25H24N2S/c1-2-18-27-24(22-16-10-5-11-17-22)23(21-14-8-4-9-15-21)26-25(27)28-19-20-12-6-3-7-13-20/h3-17H,2,18-19H2,1H3
InChIKeyCNMBQRAMCDXJHG-UHFFFAOYSA-N
MW384.55 g/mol
LogP6.92
Rot. Bonds7

About 2-benzylsulfanyl-4,5-diphenyl-1-propylimidazole

2-benzylsulfanyl-4,5-diphenyl-1-propylimidazole (PubChem CID 3323531) has the molecular formula C25H24N2S and a molecular weight of 384.55 g/mol. Its IUPAC name is 2-benzylsulfanyl-4,5-diphenyl-1-propylimidazole.

Molecular Properties

Compound Name2-benzylsulfanyl-4,5-diphenyl-1-propylimidazole
PubChem CID3323531
Molecular FormulaC25H24N2S
Molecular Weight384.55 g/mol
Exact Mass384.17
IUPAC Name2-benzylsulfanyl-4,5-diphenyl-1-propylimidazole
SMILESCCCn1c(SCc2ccccc2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C25H24N2S/c1-2-18-27-24(22-16-10-5-11-17-22)23(21-14-8-4-9-15-21)26-25(27)28-19-20-12-6-3-7-13-20/h3-17H,2,18-19H2,1H3
InChIKeyCNMBQRAMCDXJHG-UHFFFAOYSA-N
XLogP6.92
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.55
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluorophenyl)methylsulfanyl]-4,5-diphenyl-1-propylimidazole
CID 3798862
3-benzylsulfanyl-5-phenyl-4-propyl-1,2,4-triazole
CID 126096377
3-chloro-N-[2-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylethyl]-2,2-dimethylpropanamide
CID 3556679
2-[(3-fluorophenyl)methylsulfanyl]-4,5-diphenyl-1-prop-2-enylimidazole
CID 3843457
N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-3-methylbutanamide
CID 4238393
ethyl 2-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-diphenylimidazol-1-yl]acetate
CID 4265892
2-benzylsulfanyl-5-methyl-7-phenyl-3-propylpyrrolo[3,2-d]pyrimidin-4-one
CID 46377030
2-benzylsulfanyl-1-butylbenzimidazole
CID 46731856
N-[4-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylbutyl]-2-phenylbutanamide
CID 3693436
N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-4-fluorobenzamide
CID 5137693
N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-3-phenylprop-2-enamide
CID 4683494
N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-2-ethylhexanamide
CID 3880800

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-4,5-diphenyl-1-propylimidazole?
The IUPAC name of 2-benzylsulfanyl-4,5-diphenyl-1-propylimidazole (CID 3323531) is 2-benzylsulfanyl-4,5-diphenyl-1-propylimidazole.
What is the SMILES notation for 2-benzylsulfanyl-4,5-diphenyl-1-propylimidazole?
The canonical SMILES for 2-benzylsulfanyl-4,5-diphenyl-1-propylimidazole is CCCn1c(SCc2ccccc2)nc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 2-benzylsulfanyl-4,5-diphenyl-1-propylimidazole?
The InChIKey is CNMBQRAMCDXJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2S/c1-2-18-27-24(22-16-10-5-11-17-22)23(21-14-8-4-9-15-21)26-25(27)28-19-20-12-6-3-7-13-20/h3-17H,2,18-19H2,1H3.
What are the key properties of 2-benzylsulfanyl-4,5-diphenyl-1-propylimidazole?
2-benzylsulfanyl-4,5-diphenyl-1-propylimidazole has a molecular weight of 384.55 g/mol, XLogP of 6.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-4,5-diphenyl-1-propylimidazole is sourced from PubChem (CID 3323531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).