sodium;1-(1,2-dihydroimidazol-3-yl)-2,2,2-triphenylethanethiol;hydride

C23H23N2NaS — CID 173224940

IUPACsodium;1-(1,2-dihydroimidazol-3-yl)-2,2,2-triphenylethanethiol;hydride
SMILESSC(N1C=CNC1)C(c1ccccc1)(c1ccccc1)c1ccccc1.[H-].[Na+]
InChIInChI=1S/C23H22N2S.Na.H/c26-22(25-17-16-24-18-25)23(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21;;/h1-17,22,24,26H,18H2;;/q;+1;-1
InChIKeyRKOKDADWKXAIKE-UHFFFAOYSA-N
MW382.51 g/mol
LogP1.73
Rot. Bonds5

About sodium;1-(1,2-dihydroimidazol-3-yl)-2,2,2-triphenylethanethiol;hydride

sodium;1-(1,2-dihydroimidazol-3-yl)-2,2,2-triphenylethanethiol;hydride (PubChem CID 173224940) has the molecular formula C23H23N2NaS and a molecular weight of 382.51 g/mol. Its IUPAC name is sodium;1-(1,2-dihydroimidazol-3-yl)-2,2,2-triphenylethanethiol;hydride.

Molecular Properties

Compound Namesodium;1-(1,2-dihydroimidazol-3-yl)-2,2,2-triphenylethanethiol;hydride
PubChem CID173224940
Molecular FormulaC23H23N2NaS
Molecular Weight382.51 g/mol
Exact Mass382.15
IUPAC Namesodium;1-(1,2-dihydroimidazol-3-yl)-2,2,2-triphenylethanethiol;hydride
SMILESSC(N1C=CNC1)C(c1ccccc1)(c1ccccc1)c1ccccc1.[H-].[Na+]
InChIInChI=1S/C23H22N2S.Na.H/c26-22(25-17-16-24-18-25)23(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21;;/h1-17,22,24,26H,18H2;;/q;+1;-1
InChIKeyRKOKDADWKXAIKE-UHFFFAOYSA-N
XLogP1.73
TPSA15.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium;1-(1,2-dihydroimidazol-3-yl)-2,2,2-triphenylethanethiol;hydride?
The IUPAC name of sodium;1-(1,2-dihydroimidazol-3-yl)-2,2,2-triphenylethanethiol;hydride (CID 173224940) is sodium;1-(1,2-dihydroimidazol-3-yl)-2,2,2-triphenylethanethiol;hydride.
What is the SMILES notation for sodium;1-(1,2-dihydroimidazol-3-yl)-2,2,2-triphenylethanethiol;hydride?
The canonical SMILES for sodium;1-(1,2-dihydroimidazol-3-yl)-2,2,2-triphenylethanethiol;hydride is SC(N1C=CNC1)C(c1ccccc1)(c1ccccc1)c1ccccc1.[H-].[Na+].
What is the InChIKey of sodium;1-(1,2-dihydroimidazol-3-yl)-2,2,2-triphenylethanethiol;hydride?
The InChIKey is RKOKDADWKXAIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2S.Na.H/c26-22(25-17-16-24-18-25)23(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21;;/h1-17,22,24,26H,18H2;;/q;+1;-1.
What are the key properties of sodium;1-(1,2-dihydroimidazol-3-yl)-2,2,2-triphenylethanethiol;hydride?
sodium;1-(1,2-dihydroimidazol-3-yl)-2,2,2-triphenylethanethiol;hydride has a molecular weight of 382.51 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1-(1,2-dihydroimidazol-3-yl)-2,2,2-triphenylethanethiol;hydride is sourced from PubChem (CID 173224940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).