4-hydroxy-5-[[4-methoxy-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-1,3-dihydroimidazole-2-thione

C25H30N2O2S — CID 90770429

IUPAC4-hydroxy-5-[[4-methoxy-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-1,3-dihydroimidazole-2-thione
SMILESCOc1ccc(Cc2[nH]c(=S)[nH]c2O)cc1-c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C25H30N2O2S/c1-24(2)10-11-25(3,4)19-14-16(7-8-18(19)24)17-12-15(6-9-21(17)29-5)13-20-22(28)27-23(30)26-20/h6-9,12,14,28H,10-11,13H2,1-5H3,(H2,26,27,30)
InChIKeyFRYCQBMJBMVTTM-UHFFFAOYSA-N
MW422.59 g/mol
LogP6.39
Rot. Bonds4

About 4-hydroxy-5-[[4-methoxy-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-1,3-dihydroimidazole-2-thione

4-hydroxy-5-[[4-methoxy-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-1,3-dihydroimidazole-2-thione (PubChem CID 90770429) has the molecular formula C25H30N2O2S and a molecular weight of 422.59 g/mol. Its IUPAC name is 4-hydroxy-5-[[4-methoxy-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-hydroxy-5-[[4-methoxy-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-1,3-dihydroimidazole-2-thione
PubChem CID90770429
Molecular FormulaC25H30N2O2S
Molecular Weight422.59 g/mol
Exact Mass422.20
IUPAC Name4-hydroxy-5-[[4-methoxy-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-1,3-dihydroimidazole-2-thione
SMILESCOc1ccc(Cc2[nH]c(=S)[nH]c2O)cc1-c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C25H30N2O2S/c1-24(2)10-11-25(3,4)19-14-16(7-8-18(19)24)17-12-15(6-9-21(17)29-5)13-20-22(28)27-23(30)26-20/h6-9,12,14,28H,10-11,13H2,1-5H3,(H2,26,27,30)
InChIKeyFRYCQBMJBMVTTM-UHFFFAOYSA-N
XLogP6.39
TPSA61.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.59
LogP ≤ 56.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[[4-methoxy-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-hydroxy-5-[[4-methoxy-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-1,3-dihydroimidazole-2-thione (CID 90770429) is 4-hydroxy-5-[[4-methoxy-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-hydroxy-5-[[4-methoxy-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-hydroxy-5-[[4-methoxy-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-1,3-dihydroimidazole-2-thione is COc1ccc(Cc2[nH]c(=S)[nH]c2O)cc1-c1ccc2c(c1)C(C)(C)CCC2(C)C.
What is the InChIKey of 4-hydroxy-5-[[4-methoxy-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-1,3-dihydroimidazole-2-thione?
The InChIKey is FRYCQBMJBMVTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2S/c1-24(2)10-11-25(3,4)19-14-16(7-8-18(19)24)17-12-15(6-9-21(17)29-5)13-20-22(28)27-23(30)26-20/h6-9,12,14,28H,10-11,13H2,1-5H3,(H2,26,27,30).
What are the key properties of 4-hydroxy-5-[[4-methoxy-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-1,3-dihydroimidazole-2-thione?
4-hydroxy-5-[[4-methoxy-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-1,3-dihydroimidazole-2-thione has a molecular weight of 422.59 g/mol, XLogP of 6.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[[4-methoxy-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]methyl]-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 90770429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).