5-[4-methoxy-3-[[(9S)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]oxy]phenyl]-1-methylimidazolidin-2-one

C22H24N2O3 — CID 71456157

IUPAC5-[4-methoxy-3-[[(9S)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]oxy]phenyl]-1-methylimidazolidin-2-one
SMILESCOc1ccc(C2CNC(=O)N2C)cc1O[C@H]1CC2CC1c1ccccc12
InChIInChI=1S/C22H24N2O3/c1-24-18(12-23-22(24)25)13-7-8-19(26-2)21(10-13)27-20-11-14-9-17(20)16-6-4-3-5-15(14)16/h3-8,10,14,17-18,20H,9,11-12H2,1-2H3,(H,23,25)/t14?,17?,18?,20-/m0/s1
InChIKeyCCNUQTMMRGAWTF-RZTGZVOKSA-N
MW364.45 g/mol
LogP3.81
Rot. Bonds4

About 5-[4-methoxy-3-[[(9S)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]oxy]phenyl]-1-methylimidazolidin-2-one

5-[4-methoxy-3-[[(9S)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]oxy]phenyl]-1-methylimidazolidin-2-one (PubChem CID 71456157) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 5-[4-methoxy-3-[[(9S)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]oxy]phenyl]-1-methylimidazolidin-2-one.

Molecular Properties

Compound Name5-[4-methoxy-3-[[(9S)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]oxy]phenyl]-1-methylimidazolidin-2-one
PubChem CID71456157
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name5-[4-methoxy-3-[[(9S)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]oxy]phenyl]-1-methylimidazolidin-2-one
SMILESCOc1ccc(C2CNC(=O)N2C)cc1O[C@H]1CC2CC1c1ccccc12
InChIInChI=1S/C22H24N2O3/c1-24-18(12-23-22(24)25)13-7-8-19(26-2)21(10-13)27-20-11-14-9-17(20)16-6-4-3-5-15(14)16/h3-8,10,14,17-18,20H,9,11-12H2,1-2H3,(H,23,25)/t14?,17?,18?,20-/m0/s1
InChIKeyCCNUQTMMRGAWTF-RZTGZVOKSA-N
XLogP3.81
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-methoxy-3-[[(9S)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]oxy]phenyl]-1-methylimidazolidin-2-one?
The IUPAC name of 5-[4-methoxy-3-[[(9S)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]oxy]phenyl]-1-methylimidazolidin-2-one (CID 71456157) is 5-[4-methoxy-3-[[(9S)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]oxy]phenyl]-1-methylimidazolidin-2-one.
What is the SMILES notation for 5-[4-methoxy-3-[[(9S)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]oxy]phenyl]-1-methylimidazolidin-2-one?
The canonical SMILES for 5-[4-methoxy-3-[[(9S)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]oxy]phenyl]-1-methylimidazolidin-2-one is COc1ccc(C2CNC(=O)N2C)cc1O[C@H]1CC2CC1c1ccccc12.
What is the InChIKey of 5-[4-methoxy-3-[[(9S)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]oxy]phenyl]-1-methylimidazolidin-2-one?
The InChIKey is CCNUQTMMRGAWTF-RZTGZVOKSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-24-18(12-23-22(24)25)13-7-8-19(26-2)21(10-13)27-20-11-14-9-17(20)16-6-4-3-5-15(14)16/h3-8,10,14,17-18,20H,9,11-12H2,1-2H3,(H,23,25)/t14?,17?,18?,20-/m0/s1.
What are the key properties of 5-[4-methoxy-3-[[(9S)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]oxy]phenyl]-1-methylimidazolidin-2-one?
5-[4-methoxy-3-[[(9S)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]oxy]phenyl]-1-methylimidazolidin-2-one has a molecular weight of 364.45 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-methoxy-3-[[(9S)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]oxy]phenyl]-1-methylimidazolidin-2-one is sourced from PubChem (CID 71456157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).