(5S)-2-(naphthalen-1-ylmethylsulfanyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole

C26H22N2S — CID 173481176

IUPAC(5S)-2-(naphthalen-1-ylmethylsulfanyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESc1ccc(C2N=C(SCc3cccc4ccccc34)N[C@H]2c2ccccc2)cc1
InChIInChI=1S/C26H22N2S/c1-3-11-20(12-4-1)24-25(21-13-5-2-6-14-21)28-26(27-24)29-18-22-16-9-15-19-10-7-8-17-23(19)22/h1-17,24-25H,18H2,(H,27,28)/t24-,25?/m0/s1
InChIKeyKXEBMFNOUXVIEX-SKCDSABHSA-N
MW394.54 g/mol
LogP6.51
Rot. Bonds4

About (5S)-2-(naphthalen-1-ylmethylsulfanyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole

(5S)-2-(naphthalen-1-ylmethylsulfanyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole (PubChem CID 173481176) has the molecular formula C26H22N2S and a molecular weight of 394.54 g/mol. Its IUPAC name is (5S)-2-(naphthalen-1-ylmethylsulfanyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(5S)-2-(naphthalen-1-ylmethylsulfanyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole
PubChem CID173481176
Molecular FormulaC26H22N2S
Molecular Weight394.54 g/mol
Exact Mass394.15
IUPAC Name(5S)-2-(naphthalen-1-ylmethylsulfanyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESc1ccc(C2N=C(SCc3cccc4ccccc34)N[C@H]2c2ccccc2)cc1
InChIInChI=1S/C26H22N2S/c1-3-11-20(12-4-1)24-25(21-13-5-2-6-14-21)28-26(27-24)29-18-22-16-9-15-19-10-7-8-17-23(19)22/h1-17,24-25H,18H2,(H,27,28)/t24-,25?/m0/s1
InChIKeyKXEBMFNOUXVIEX-SKCDSABHSA-N
XLogP6.51
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.54
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-(naphthalen-1-ylmethylsulfanyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The IUPAC name of (5S)-2-(naphthalen-1-ylmethylsulfanyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole (CID 173481176) is (5S)-2-(naphthalen-1-ylmethylsulfanyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (5S)-2-(naphthalen-1-ylmethylsulfanyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for (5S)-2-(naphthalen-1-ylmethylsulfanyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole is c1ccc(C2N=C(SCc3cccc4ccccc34)N[C@H]2c2ccccc2)cc1.
What is the InChIKey of (5S)-2-(naphthalen-1-ylmethylsulfanyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The InChIKey is KXEBMFNOUXVIEX-SKCDSABHSA-N. The full InChI is InChI=1S/C26H22N2S/c1-3-11-20(12-4-1)24-25(21-13-5-2-6-14-21)28-26(27-24)29-18-22-16-9-15-19-10-7-8-17-23(19)22/h1-17,24-25H,18H2,(H,27,28)/t24-,25?/m0/s1.
What are the key properties of (5S)-2-(naphthalen-1-ylmethylsulfanyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole?
(5S)-2-(naphthalen-1-ylmethylsulfanyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole has a molecular weight of 394.54 g/mol, XLogP of 6.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(naphthalen-1-ylmethylsulfanyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 173481176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).