1-[2-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-3,4,5-triphenylimidazol-2-one

C33H30N2O2 — CID 23191229

IUPAC1-[2-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-3,4,5-triphenylimidazol-2-one
SMILESO=c1n(CCC2CCc3c(O)cccc3C2)c(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C33H30N2O2/c36-30-18-10-15-27-23-24(19-20-29(27)30)21-22-34-31(25-11-4-1-5-12-25)32(26-13-6-2-7-14-26)35(33(34)37)28-16-8-3-9-17-28/h1-18,24,36H,19-23H2
InChIKeyVZMZWPGRFJTBLB-UHFFFAOYSA-N
MW486.62 g/mol
LogP6.87
Rot. Bonds6

About 1-[2-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-3,4,5-triphenylimidazol-2-one

1-[2-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-3,4,5-triphenylimidazol-2-one (PubChem CID 23191229) has the molecular formula C33H30N2O2 and a molecular weight of 486.62 g/mol. Its IUPAC name is 1-[2-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-3,4,5-triphenylimidazol-2-one.

Molecular Properties

Compound Name1-[2-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-3,4,5-triphenylimidazol-2-one
PubChem CID23191229
Molecular FormulaC33H30N2O2
Molecular Weight486.62 g/mol
Exact Mass486.23
IUPAC Name1-[2-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-3,4,5-triphenylimidazol-2-one
SMILESO=c1n(CCC2CCc3c(O)cccc3C2)c(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C33H30N2O2/c36-30-18-10-15-27-23-24(19-20-29(27)30)21-22-34-31(25-11-4-1-5-12-25)32(26-13-6-2-7-14-26)35(33(34)37)28-16-8-3-9-17-28/h1-18,24,36H,19-23H2
InChIKeyVZMZWPGRFJTBLB-UHFFFAOYSA-N
XLogP6.87
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.62
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-hydroxynaphthalen-2-yl)methyl]-N-phenylpiperazine-1-carboxamide
CID 11508787
1,1-Dibenzyl-3-(7-hydroxynaphthalen-1-yl)urea
CID 10452485
1-(1-Benzyl-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-3-(7-hydroxynaphthalen-1-yl)urea
CID 22258314
1-[2-[3-(2,4,6-Trimethylphenyl)imidazolidin-1-yl]naphthalen-1-yl]naphthalen-2-ol
CID 5242867
2-(2-hydroxynaphthalen-1-yl)-N-(naphthalen-1-yl)pyrrolidine-1-carboxamide
CID 132280650
3,5-dimethyl-2-[2-[(N-methylanilino)methyl]naphthalen-1-yl]phenol
CID 138984203
1-[(1-benzyl-4H-quinolin-3-yl)methyl]naphthalen-2-ol
CID 164672390
1,1-Diethyl-3-((2-hydroxyphenyl)(phenyl)methyl)-3-phenylurea
CID 168331782
1-(2-fluorophenyl)-3-[(S)-(2-hydroxynaphthalen-1-yl)-phenylmethyl]urea
CID 40171387
1-(2-fluorophenyl)-3-[(R)-(2-hydroxynaphthalen-1-yl)-phenylmethyl]urea
CID 40171388
1-(2-Fluorophenyl)-3-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]urea
CID 42962125
3-(4-Fluorophenyl)-4-(2-hydroxy-4-phenylphenyl)-1-methylimidazolidin-2-one
CID 143298816

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-3,4,5-triphenylimidazol-2-one?
The IUPAC name of 1-[2-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-3,4,5-triphenylimidazol-2-one (CID 23191229) is 1-[2-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-3,4,5-triphenylimidazol-2-one.
What is the SMILES notation for 1-[2-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-3,4,5-triphenylimidazol-2-one?
The canonical SMILES for 1-[2-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-3,4,5-triphenylimidazol-2-one is O=c1n(CCC2CCc3c(O)cccc3C2)c(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1.
What is the InChIKey of 1-[2-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-3,4,5-triphenylimidazol-2-one?
The InChIKey is VZMZWPGRFJTBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N2O2/c36-30-18-10-15-27-23-24(19-20-29(27)30)21-22-34-31(25-11-4-1-5-12-25)32(26-13-6-2-7-14-26)35(33(34)37)28-16-8-3-9-17-28/h1-18,24,36H,19-23H2.
What are the key properties of 1-[2-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-3,4,5-triphenylimidazol-2-one?
1-[2-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-3,4,5-triphenylimidazol-2-one has a molecular weight of 486.62 g/mol, XLogP of 6.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-3,4,5-triphenylimidazol-2-one is sourced from PubChem (CID 23191229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).