3-(2-methoxyphenyl)-2-(4-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one

C20H22N2O3 — CID 5307211

IUPAC3-(2-methoxyphenyl)-2-(4-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESCOc1ccc(N2C(=O)C3CCCN3C2c2ccccc2OC)cc1
InChIInChI=1S/C20H22N2O3/c1-24-15-11-9-14(10-12-15)22-19(16-6-3-4-8-18(16)25-2)21-13-5-7-17(21)20(22)23/h3-4,6,8-12,17,19H,5,7,13H2,1-2H3
InChIKeyFZPHBDNLINCHPL-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.21
Rot. Bonds4

About 3-(2-methoxyphenyl)-2-(4-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one

3-(2-methoxyphenyl)-2-(4-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (PubChem CID 5307211) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-2-(4-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-2-(4-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
PubChem CID5307211
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name3-(2-methoxyphenyl)-2-(4-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESCOc1ccc(N2C(=O)C3CCCN3C2c2ccccc2OC)cc1
InChIInChI=1S/C20H22N2O3/c1-24-15-11-9-14(10-12-15)22-19(16-6-3-4-8-18(16)25-2)21-13-5-7-17(21)20(22)23/h3-4,6,8-12,17,19H,5,7,13H2,1-2H3
InChIKeyFZPHBDNLINCHPL-UHFFFAOYSA-N
XLogP3.21
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-2-(4-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The IUPAC name of 3-(2-methoxyphenyl)-2-(4-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (CID 5307211) is 3-(2-methoxyphenyl)-2-(4-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one.
What is the SMILES notation for 3-(2-methoxyphenyl)-2-(4-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The canonical SMILES for 3-(2-methoxyphenyl)-2-(4-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is COc1ccc(N2C(=O)C3CCCN3C2c2ccccc2OC)cc1.
What is the InChIKey of 3-(2-methoxyphenyl)-2-(4-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The InChIKey is FZPHBDNLINCHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-24-15-11-9-14(10-12-15)22-19(16-6-3-4-8-18(16)25-2)21-13-5-7-17(21)20(22)23/h3-4,6,8-12,17,19H,5,7,13H2,1-2H3.
What are the key properties of 3-(2-methoxyphenyl)-2-(4-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
3-(2-methoxyphenyl)-2-(4-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one has a molecular weight of 338.41 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-2-(4-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is sourced from PubChem (CID 5307211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).