1-[3-[(6-methoxy-2H-chromen-3-yl)methylamino]phenyl]-3-methylimidazolidin-2-one

C21H23N3O3 — CID 39818598

IUPAC1-[3-[(6-methoxy-2H-chromen-3-yl)methylamino]phenyl]-3-methylimidazolidin-2-one
SMILESCOc1ccc2c(c1)C=C(CNc1cccc(N3CCN(C)C3=O)c1)CO2
InChIInChI=1S/C21H23N3O3/c1-23-8-9-24(21(23)25)18-5-3-4-17(12-18)22-13-15-10-16-11-19(26-2)6-7-20(16)27-14-15/h3-7,10-12,22H,8-9,13-14H2,1-2H3
InChIKeyVGJVZDYEGWSRAU-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.45
Rot. Bonds5

About 1-[3-[(6-methoxy-2H-chromen-3-yl)methylamino]phenyl]-3-methylimidazolidin-2-one

1-[3-[(6-methoxy-2H-chromen-3-yl)methylamino]phenyl]-3-methylimidazolidin-2-one (PubChem CID 39818598) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-[3-[(6-methoxy-2H-chromen-3-yl)methylamino]phenyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[(6-methoxy-2H-chromen-3-yl)methylamino]phenyl]-3-methylimidazolidin-2-one
PubChem CID39818598
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name1-[3-[(6-methoxy-2H-chromen-3-yl)methylamino]phenyl]-3-methylimidazolidin-2-one
SMILESCOc1ccc2c(c1)C=C(CNc1cccc(N3CCN(C)C3=O)c1)CO2
InChIInChI=1S/C21H23N3O3/c1-23-8-9-24(21(23)25)18-5-3-4-17(12-18)22-13-15-10-16-11-19(26-2)6-7-20(16)27-14-15/h3-7,10-12,22H,8-9,13-14H2,1-2H3
InChIKeyVGJVZDYEGWSRAU-UHFFFAOYSA-N
XLogP3.45
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(6-methoxy-2H-chromen-3-yl)methylamino]phenyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[3-[(6-methoxy-2H-chromen-3-yl)methylamino]phenyl]-3-methylimidazolidin-2-one (CID 39818598) is 1-[3-[(6-methoxy-2H-chromen-3-yl)methylamino]phenyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[3-[(6-methoxy-2H-chromen-3-yl)methylamino]phenyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[3-[(6-methoxy-2H-chromen-3-yl)methylamino]phenyl]-3-methylimidazolidin-2-one is COc1ccc2c(c1)C=C(CNc1cccc(N3CCN(C)C3=O)c1)CO2.
What is the InChIKey of 1-[3-[(6-methoxy-2H-chromen-3-yl)methylamino]phenyl]-3-methylimidazolidin-2-one?
The InChIKey is VGJVZDYEGWSRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-23-8-9-24(21(23)25)18-5-3-4-17(12-18)22-13-15-10-16-11-19(26-2)6-7-20(16)27-14-15/h3-7,10-12,22H,8-9,13-14H2,1-2H3.
What are the key properties of 1-[3-[(6-methoxy-2H-chromen-3-yl)methylamino]phenyl]-3-methylimidazolidin-2-one?
1-[3-[(6-methoxy-2H-chromen-3-yl)methylamino]phenyl]-3-methylimidazolidin-2-one has a molecular weight of 365.43 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(6-methoxy-2H-chromen-3-yl)methylamino]phenyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 39818598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).