4-[(E)-2-[1-(4,5-dihydro-1H-imidazol-2-yl)-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-5-yl]ethenyl]-2-methoxyphenol

C24H24N4O4 — CID 136505153

IUPAC4-[(E)-2-[1-(4,5-dihydro-1H-imidazol-2-yl)-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-5-yl]ethenyl]-2-methoxyphenol
SMILESCOc1cc(/C=C/c2cc(/C=C/c3ccc(O)c(OC)c3)n(C3=NCCN3)n2)ccc1O
InChIInChI=1S/C24H24N4O4/c1-31-22-13-16(5-9-20(22)29)3-7-18-15-19(28(27-18)24-25-11-12-26-24)8-4-17-6-10-21(30)23(14-17)32-2/h3-10,13-15,29-30H,11-12H2,1-2H3,(H,25,26)/b7-3+,8-4+
InChIKeyIBYSTUGFIZRBCA-FCXRPNKRSA-N
MW432.48 g/mol
LogP3.46
Rot. Bonds6

About 4-[(E)-2-[1-(4,5-dihydro-1H-imidazol-2-yl)-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-5-yl]ethenyl]-2-methoxyphenol

4-[(E)-2-[1-(4,5-dihydro-1H-imidazol-2-yl)-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-5-yl]ethenyl]-2-methoxyphenol (PubChem CID 136505153) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is 4-[(E)-2-[1-(4,5-dihydro-1H-imidazol-2-yl)-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-5-yl]ethenyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(E)-2-[1-(4,5-dihydro-1H-imidazol-2-yl)-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-5-yl]ethenyl]-2-methoxyphenol
PubChem CID136505153
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name4-[(E)-2-[1-(4,5-dihydro-1H-imidazol-2-yl)-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-5-yl]ethenyl]-2-methoxyphenol
SMILESCOc1cc(/C=C/c2cc(/C=C/c3ccc(O)c(OC)c3)n(C3=NCCN3)n2)ccc1O
InChIInChI=1S/C24H24N4O4/c1-31-22-13-16(5-9-20(22)29)3-7-18-15-19(28(27-18)24-25-11-12-26-24)8-4-17-6-10-21(30)23(14-17)32-2/h3-10,13-15,29-30H,11-12H2,1-2H3,(H,25,26)/b7-3+,8-4+
InChIKeyIBYSTUGFIZRBCA-FCXRPNKRSA-N
XLogP3.46
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]ethenyl]-2-methoxyphenol
CID 135518353
4-[(E)-2-[1-(2-fluorophenyl)-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-5-yl]ethenyl]-2-methoxyphenol
CID 137158246
methyl 4-[3,5-bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-1-yl]benzoate
CID 162665812
3,5-bis[2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazole-1-carboxamide
CID 137228772
3,5-bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazole-1-carboxamide
CID 135857202
4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1-(2-nitrophenyl)pyrazol-5-yl]ethenyl]-2-methoxyphenol
CID 143764470
[3,5-bis[2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-1-yl]-pyridin-4-ylmethanone
CID 137228757
2-methoxy-4-[(E)-2-[3-[(E)-2-(3-methoxyphenyl)ethenyl]-1-(4-nitrophenyl)pyrazol-5-yl]ethenyl]phenol
CID 143757803
1-(2,6-dimethylphenyl)-4,6-bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrimidin-2-one
CID 155809153
4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-methoxyphenol
CID 10377070
4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-methoxyphenol
CID 11406193
4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1,2-oxazol-5-yl]ethenyl]-2-methoxyphenol
CID 135923992

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[1-(4,5-dihydro-1H-imidazol-2-yl)-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-5-yl]ethenyl]-2-methoxyphenol?
The IUPAC name of 4-[(E)-2-[1-(4,5-dihydro-1H-imidazol-2-yl)-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-5-yl]ethenyl]-2-methoxyphenol (CID 136505153) is 4-[(E)-2-[1-(4,5-dihydro-1H-imidazol-2-yl)-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-5-yl]ethenyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(E)-2-[1-(4,5-dihydro-1H-imidazol-2-yl)-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-5-yl]ethenyl]-2-methoxyphenol?
The canonical SMILES for 4-[(E)-2-[1-(4,5-dihydro-1H-imidazol-2-yl)-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-5-yl]ethenyl]-2-methoxyphenol is COc1cc(/C=C/c2cc(/C=C/c3ccc(O)c(OC)c3)n(C3=NCCN3)n2)ccc1O.
What is the InChIKey of 4-[(E)-2-[1-(4,5-dihydro-1H-imidazol-2-yl)-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-5-yl]ethenyl]-2-methoxyphenol?
The InChIKey is IBYSTUGFIZRBCA-FCXRPNKRSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-31-22-13-16(5-9-20(22)29)3-7-18-15-19(28(27-18)24-25-11-12-26-24)8-4-17-6-10-21(30)23(14-17)32-2/h3-10,13-15,29-30H,11-12H2,1-2H3,(H,25,26)/b7-3+,8-4+.
What are the key properties of 4-[(E)-2-[1-(4,5-dihydro-1H-imidazol-2-yl)-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-5-yl]ethenyl]-2-methoxyphenol?
4-[(E)-2-[1-(4,5-dihydro-1H-imidazol-2-yl)-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-5-yl]ethenyl]-2-methoxyphenol has a molecular weight of 432.48 g/mol, XLogP of 3.46, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[1-(4,5-dihydro-1H-imidazol-2-yl)-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-5-yl]ethenyl]-2-methoxyphenol is sourced from PubChem (CID 136505153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).