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

C22H26N2O4 — CID 5307539

IUPAC3-(4-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESCCOc1ccc(C2N(c3ccc(OC)cc3)C(=O)C3CCCN32)cc1OC
InChIInChI=1S/C22H26N2O4/c1-4-28-19-12-7-15(14-20(19)27-3)21-23-13-5-6-18(23)22(25)24(21)16-8-10-17(26-2)11-9-16/h7-12,14,18,21H,4-6,13H2,1-3H3
InChIKeyOIPFTRUULNOEHH-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.61
Rot. Bonds6

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

3-(4-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (PubChem CID 5307539) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 3-(4-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one.

Molecular Properties

Compound Name3-(4-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
PubChem CID5307539
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name3-(4-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESCCOc1ccc(C2N(c3ccc(OC)cc3)C(=O)C3CCCN32)cc1OC
InChIInChI=1S/C22H26N2O4/c1-4-28-19-12-7-15(14-20(19)27-3)21-23-13-5-6-18(23)22(25)24(21)16-8-10-17(26-2)11-9-16/h7-12,14,18,21H,4-6,13H2,1-3H3
InChIKeyOIPFTRUULNOEHH-UHFFFAOYSA-N
XLogP3.61
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The IUPAC name of 3-(4-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (CID 5307539) is 3-(4-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one.
What is the SMILES notation for 3-(4-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The canonical SMILES for 3-(4-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is CCOc1ccc(C2N(c3ccc(OC)cc3)C(=O)C3CCCN32)cc1OC.
What is the InChIKey of 3-(4-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The InChIKey is OIPFTRUULNOEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-4-28-19-12-7-15(14-20(19)27-3)21-23-13-5-6-18(23)22(25)24(21)16-8-10-17(26-2)11-9-16/h7-12,14,18,21H,4-6,13H2,1-3H3.
What are the key properties of 3-(4-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
3-(4-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one has a molecular weight of 382.46 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is sourced from PubChem (CID 5307539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).