diphenyl-propan-2-yl-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)-λ4-sulfane

C24H22N2S2 — CID 126758557

IUPACdiphenyl-propan-2-yl-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)-λ4-sulfane
SMILESCC(C)S(c1ccccc1)(c1ccccc1)c1ccc2nc3sccn3c2c1
InChIInChI=1S/C24H22N2S2/c1-18(2)28(19-9-5-3-6-10-19,20-11-7-4-8-12-20)21-13-14-22-23(17-21)26-15-16-27-24(26)25-22/h3-18H,1-2H3
InChIKeyDQNHNVIJDNKONU-UHFFFAOYSA-N
MW402.59 g/mol
LogP7.24
Rot. Bonds4

About diphenyl-propan-2-yl-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)-λ4-sulfane

diphenyl-propan-2-yl-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)-λ4-sulfane (PubChem CID 126758557) has the molecular formula C24H22N2S2 and a molecular weight of 402.59 g/mol. Its IUPAC name is diphenyl-propan-2-yl-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)-λ4-sulfane.

Molecular Properties

Compound Namediphenyl-propan-2-yl-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)-λ4-sulfane
PubChem CID126758557
Molecular FormulaC24H22N2S2
Molecular Weight402.59 g/mol
Exact Mass402.12
IUPAC Namediphenyl-propan-2-yl-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)-λ4-sulfane
SMILESCC(C)S(c1ccccc1)(c1ccccc1)c1ccc2nc3sccn3c2c1
InChIInChI=1S/C24H22N2S2/c1-18(2)28(19-9-5-3-6-10-19,20-11-7-4-8-12-20)21-13-14-22-23(17-21)26-15-16-27-24(26)25-22/h3-18H,1-2H3
InChIKeyDQNHNVIJDNKONU-UHFFFAOYSA-N
XLogP7.24
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.59
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of diphenyl-propan-2-yl-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)-λ4-sulfane?
The IUPAC name of diphenyl-propan-2-yl-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)-λ4-sulfane (CID 126758557) is diphenyl-propan-2-yl-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)-λ4-sulfane.
What is the SMILES notation for diphenyl-propan-2-yl-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)-λ4-sulfane?
The canonical SMILES for diphenyl-propan-2-yl-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)-λ4-sulfane is CC(C)S(c1ccccc1)(c1ccccc1)c1ccc2nc3sccn3c2c1.
What is the InChIKey of diphenyl-propan-2-yl-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)-λ4-sulfane?
The InChIKey is DQNHNVIJDNKONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2S2/c1-18(2)28(19-9-5-3-6-10-19,20-11-7-4-8-12-20)21-13-14-22-23(17-21)26-15-16-27-24(26)25-22/h3-18H,1-2H3.
What are the key properties of diphenyl-propan-2-yl-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)-λ4-sulfane?
diphenyl-propan-2-yl-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)-λ4-sulfane has a molecular weight of 402.59 g/mol, XLogP of 7.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-propan-2-yl-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)-λ4-sulfane is sourced from PubChem (CID 126758557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).