1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-2-phenyl-4,5-dihydroimidazole

C27H28N2S — CID 58400849

IUPAC1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-2-phenyl-4,5-dihydroimidazole
SMILESCC(C)c1cc2c(sc3ccccc32)c(C(C)C)c1N1CCN=C1c1ccccc1
InChIInChI=1S/C27H28N2S/c1-17(2)21-16-22-20-12-8-9-13-23(20)30-26(22)24(18(3)4)25(21)29-15-14-28-27(29)19-10-6-5-7-11-19/h5-13,16-18H,14-15H2,1-4H3
InChIKeyXRUIQFJUWJGONJ-UHFFFAOYSA-N
MW412.60 g/mol
LogP7.57
Rot. Bonds4

About 1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-2-phenyl-4,5-dihydroimidazole

1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-2-phenyl-4,5-dihydroimidazole (PubChem CID 58400849) has the molecular formula C27H28N2S and a molecular weight of 412.60 g/mol. Its IUPAC name is 1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-2-phenyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-2-phenyl-4,5-dihydroimidazole
PubChem CID58400849
Molecular FormulaC27H28N2S
Molecular Weight412.60 g/mol
Exact Mass412.20
IUPAC Name1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-2-phenyl-4,5-dihydroimidazole
SMILESCC(C)c1cc2c(sc3ccccc32)c(C(C)C)c1N1CCN=C1c1ccccc1
InChIInChI=1S/C27H28N2S/c1-17(2)21-16-22-20-12-8-9-13-23(20)30-26(22)24(18(3)4)25(21)29-15-14-28-27(29)19-10-6-5-7-11-19/h5-13,16-18H,14-15H2,1-4H3
InChIKeyXRUIQFJUWJGONJ-UHFFFAOYSA-N
XLogP7.57
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.60
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-3,5,6-trimethyl-2-(4-methyl-3-pyridinyl)benzimidazol-3-ium
CID 140847284
1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;pentakis(1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-2-phenylimidazole);bis(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);pentakis(iridium);bis(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole)
CID 157479785
1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-5,6-diethyl-5-methyl-6-[2-[2-[1-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]phenyl]ethyl]imidazo[2,1-a]isoquinolin-4-ium
CID 123574868
1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-methyl-2-(2-methylphenyl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-1-ium;1,2,12-trimethylimidazo[1,2-f]phenanthridin-4-ium
CID 160723478
1-[1,3-di(propan-2-yl)naphthalen-2-yl]-3-methyl-2-(3-methyl-7-phenyldibenzothiophen-2-yl)benzimidazol-3-ium
CID 167365117
1-(2,3-dimethyldibenzothiophen-4-yl)piperidine
CID 12861826
7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzothiolo[3,2-b]pyridine
CID 158101859
3-methyl-2-(3-methyldibenzothiophen-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzo[e]benzimidazol-3-ium
CID 167365274
1-(4-tert-butyl-2-phenyl-6-propan-2-ylphenyl)-2-(7-methyldibenzothiophen-4-yl)benzimidazole
CID 171435785
1-(1-propan-2-yl-[1]benzothiolo[2,3-b][1]benzothiol-3-yl)-[1]benzothiolo[2,3-c]pyridine
CID 170543824
2,3,4-trimethyldibenzothiophene
CID 15818020
3-(4-propan-2-ylnaphthalen-1-yl)dibenzothiophene
CID 67964023

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-2-phenyl-4,5-dihydroimidazole?
The IUPAC name of 1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-2-phenyl-4,5-dihydroimidazole (CID 58400849) is 1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-2-phenyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-2-phenyl-4,5-dihydroimidazole?
The canonical SMILES for 1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-2-phenyl-4,5-dihydroimidazole is CC(C)c1cc2c(sc3ccccc32)c(C(C)C)c1N1CCN=C1c1ccccc1.
What is the InChIKey of 1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-2-phenyl-4,5-dihydroimidazole?
The InChIKey is XRUIQFJUWJGONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2S/c1-17(2)21-16-22-20-12-8-9-13-23(20)30-26(22)24(18(3)4)25(21)29-15-14-28-27(29)19-10-6-5-7-11-19/h5-13,16-18H,14-15H2,1-4H3.
What are the key properties of 1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-2-phenyl-4,5-dihydroimidazole?
1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-2-phenyl-4,5-dihydroimidazole has a molecular weight of 412.60 g/mol, XLogP of 7.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-2-phenyl-4,5-dihydroimidazole is sourced from PubChem (CID 58400849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).