1-[(2S)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanoyl]imidazolidin-2-one

C18H25N3O4 — CID 11933997

IUPAC1-[(2S)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanoyl]imidazolidin-2-one
SMILESCOc1ccc(OC)c([C@H]2CCCN2[C@@H](C)C(=O)N2CCNC2=O)c1
InChIInChI=1S/C18H25N3O4/c1-12(17(22)21-10-8-19-18(21)23)20-9-4-5-15(20)14-11-13(24-2)6-7-16(14)25-3/h6-7,11-12,15H,4-5,8-10H2,1-3H3,(H,19,23)/t12-,15+/m0/s1
InChIKeyVBNRPWYGQYONMN-SWLSCSKDSA-N
MW347.42 g/mol
LogP1.78
Rot. Bonds5

About 1-[(2S)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanoyl]imidazolidin-2-one

1-[(2S)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanoyl]imidazolidin-2-one (PubChem CID 11933997) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[(2S)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanoyl]imidazolidin-2-one
PubChem CID11933997
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name1-[(2S)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanoyl]imidazolidin-2-one
SMILESCOc1ccc(OC)c([C@H]2CCCN2[C@@H](C)C(=O)N2CCNC2=O)c1
InChIInChI=1S/C18H25N3O4/c1-12(17(22)21-10-8-19-18(21)23)20-9-4-5-15(20)14-11-13(24-2)6-7-16(14)25-3/h6-7,11-12,15H,4-5,8-10H2,1-3H3,(H,19,23)/t12-,15+/m0/s1
InChIKeyVBNRPWYGQYONMN-SWLSCSKDSA-N
XLogP1.78
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanoyl]imidazolidin-2-one
CID 11934397
(2S)-N-(4-acetylphenyl)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide
CID 11933842
4-[[(2S)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanoyl]amino]benzamide
CID 11933896
(2R)-N-(cyclohexylcarbamoyl)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide
CID 11933934
(2S)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanamide
CID 11934325
(2R)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanamide
CID 11934327
(2R)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-phenylacetamide
CID 25384402
2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-phenylphenyl)propanamide
CID 17441603
1-[2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanoyl]imidazolidin-2-one
CID 24624045
1-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetyl]imidazolidin-2-one
CID 8833597
methyl N-[(2S)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanoyl]carbamate
CID 11934387
3-[[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-diazinane-2,4-dione
CID 9285400

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanoyl]imidazolidin-2-one?
The IUPAC name of 1-[(2S)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanoyl]imidazolidin-2-one (CID 11933997) is 1-[(2S)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(2S)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[(2S)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanoyl]imidazolidin-2-one is COc1ccc(OC)c([C@H]2CCCN2[C@@H](C)C(=O)N2CCNC2=O)c1.
What is the InChIKey of 1-[(2S)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanoyl]imidazolidin-2-one?
The InChIKey is VBNRPWYGQYONMN-SWLSCSKDSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-12(17(22)21-10-8-19-18(21)23)20-9-4-5-15(20)14-11-13(24-2)6-7-16(14)25-3/h6-7,11-12,15H,4-5,8-10H2,1-3H3,(H,19,23)/t12-,15+/m0/s1.
What are the key properties of 1-[(2S)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanoyl]imidazolidin-2-one?
1-[(2S)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanoyl]imidazolidin-2-one has a molecular weight of 347.42 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanoyl]imidazolidin-2-one is sourced from PubChem (CID 11933997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).