1,3-bis[3-(4-methoxyphenyl)propanoyl]imidazolidin-2-one

C23H26N2O5 — CID 102045392

IUPAC1,3-bis[3-(4-methoxyphenyl)propanoyl]imidazolidin-2-one
SMILESCOc1ccc(CCC(=O)N2CCN(C(=O)CCc3ccc(OC)cc3)C2=O)cc1
InChIInChI=1S/C23H26N2O5/c1-29-19-9-3-17(4-10-19)7-13-21(26)24-15-16-25(23(24)28)22(27)14-8-18-5-11-20(30-2)12-6-18/h3-6,9-12H,7-8,13-16H2,1-2H3
InChIKeyNFQNRNVNAJAEDR-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.06
Rot. Bonds8

About 1,3-bis[3-(4-methoxyphenyl)propanoyl]imidazolidin-2-one

1,3-bis[3-(4-methoxyphenyl)propanoyl]imidazolidin-2-one (PubChem CID 102045392) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is 1,3-bis[3-(4-methoxyphenyl)propanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1,3-bis[3-(4-methoxyphenyl)propanoyl]imidazolidin-2-one
PubChem CID102045392
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Name1,3-bis[3-(4-methoxyphenyl)propanoyl]imidazolidin-2-one
SMILESCOc1ccc(CCC(=O)N2CCN(C(=O)CCc3ccc(OC)cc3)C2=O)cc1
InChIInChI=1S/C23H26N2O5/c1-29-19-9-3-17(4-10-19)7-13-21(26)24-15-16-25(23(24)28)22(27)14-8-18-5-11-20(30-2)12-6-18/h3-6,9-12H,7-8,13-16H2,1-2H3
InChIKeyNFQNRNVNAJAEDR-UHFFFAOYSA-N
XLogP3.06
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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1-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]butan-1-one
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1-[4-(3-aminopropanoyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
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3-(4-methoxyphenyl)-1-[4-[3-(4-methoxyphenyl)propanoyl]-2,5-dimethylpiperazin-1-yl]propan-1-one
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1-(3-hydroxypyrrolidin-1-yl)-3-(4-methoxyphenyl)propan-1-one
CID 62917256
3-(4-methoxyphenyl)-1-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]propan-1-one
CID 95985961
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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[3-(4-methoxyphenyl)propanoyl]imidazolidin-2-one?
The IUPAC name of 1,3-bis[3-(4-methoxyphenyl)propanoyl]imidazolidin-2-one (CID 102045392) is 1,3-bis[3-(4-methoxyphenyl)propanoyl]imidazolidin-2-one.
What is the SMILES notation for 1,3-bis[3-(4-methoxyphenyl)propanoyl]imidazolidin-2-one?
The canonical SMILES for 1,3-bis[3-(4-methoxyphenyl)propanoyl]imidazolidin-2-one is COc1ccc(CCC(=O)N2CCN(C(=O)CCc3ccc(OC)cc3)C2=O)cc1.
What is the InChIKey of 1,3-bis[3-(4-methoxyphenyl)propanoyl]imidazolidin-2-one?
The InChIKey is NFQNRNVNAJAEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-29-19-9-3-17(4-10-19)7-13-21(26)24-15-16-25(23(24)28)22(27)14-8-18-5-11-20(30-2)12-6-18/h3-6,9-12H,7-8,13-16H2,1-2H3.
What are the key properties of 1,3-bis[3-(4-methoxyphenyl)propanoyl]imidazolidin-2-one?
1,3-bis[3-(4-methoxyphenyl)propanoyl]imidazolidin-2-one has a molecular weight of 410.47 g/mol, XLogP of 3.06, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[3-(4-methoxyphenyl)propanoyl]imidazolidin-2-one is sourced from PubChem (CID 102045392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).