1-imidazol-1-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-phenylpyrrole-3-carboxamide

C21H23N5O2 — CID 68572761

IUPAC1-imidazol-1-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-phenylpyrrole-3-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1ccn(-n2ccnc2)c1-c1ccccc1
InChIInChI=1S/C21H23N5O2/c27-19-8-4-12-24(19)13-5-10-23-21(28)18-9-14-26(25-15-11-22-16-25)20(18)17-6-2-1-3-7-17/h1-3,6-7,9,11,14-16H,4-5,8,10,12-13H2,(H,23,28)
InChIKeyRLFUBRXKHXIZBO-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.41
Rot. Bonds7

About 1-imidazol-1-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-phenylpyrrole-3-carboxamide

1-imidazol-1-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-phenylpyrrole-3-carboxamide (PubChem CID 68572761) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 1-imidazol-1-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-phenylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-imidazol-1-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-phenylpyrrole-3-carboxamide
PubChem CID68572761
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name1-imidazol-1-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-phenylpyrrole-3-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1ccn(-n2ccnc2)c1-c1ccccc1
InChIInChI=1S/C21H23N5O2/c27-19-8-4-12-24(19)13-5-10-23-21(28)18-9-14-26(25-15-11-22-16-25)20(18)17-6-2-1-3-7-17/h1-3,6-7,9,11,14-16H,4-5,8,10,12-13H2,(H,23,28)
InChIKeyRLFUBRXKHXIZBO-UHFFFAOYSA-N
XLogP2.41
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(4-phenylphenyl)acetamide
CID 27258939
6-imidazol-1-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridazine-3-carboxamide
CID 121114123
1-(4-imidazol-1-ylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide
CID 68572763
3-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenylpyrazole-4-carboxamide
CID 24982065
N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271596
2-ethyl-3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6-diphenylpyridazine-4-carboxamide
CID 108790708
N-[3-(2-oxoazepan-1-yl)propyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46488049
1,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide;hydrochloride
CID 45284452
2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyridine-3-carboxamide
CID 34842840
2-chloro-N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propyl]benzamide
CID 30483231
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyridine-4-carboxamide
CID 117094373

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-phenylpyrrole-3-carboxamide?
The IUPAC name of 1-imidazol-1-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-phenylpyrrole-3-carboxamide (CID 68572761) is 1-imidazol-1-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-phenylpyrrole-3-carboxamide.
What is the SMILES notation for 1-imidazol-1-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-phenylpyrrole-3-carboxamide?
The canonical SMILES for 1-imidazol-1-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-phenylpyrrole-3-carboxamide is O=C(NCCCN1CCCC1=O)c1ccn(-n2ccnc2)c1-c1ccccc1.
What is the InChIKey of 1-imidazol-1-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-phenylpyrrole-3-carboxamide?
The InChIKey is RLFUBRXKHXIZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c27-19-8-4-12-24(19)13-5-10-23-21(28)18-9-14-26(25-15-11-22-16-25)20(18)17-6-2-1-3-7-17/h1-3,6-7,9,11,14-16H,4-5,8,10,12-13H2,(H,23,28).
What are the key properties of 1-imidazol-1-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-phenylpyrrole-3-carboxamide?
1-imidazol-1-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-phenylpyrrole-3-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-phenylpyrrole-3-carboxamide is sourced from PubChem (CID 68572761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).