1-(4-imidazol-1-ylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide

C21H23N5O2 — CID 68572763

IUPAC1-(4-imidazol-1-ylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1ccn(-c2ccc(-n3ccnc3)cc2)c1
InChIInChI=1S/C21H23N5O2/c27-20-3-1-11-24(20)12-2-9-23-21(28)17-8-13-25(15-17)18-4-6-19(7-5-18)26-14-10-22-16-26/h4-8,10,13-16H,1-3,9,11-12H2,(H,23,28)
InChIKeyZKJYZOOFSBMBGF-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.41
Rot. Bonds7

About 1-(4-imidazol-1-ylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide

1-(4-imidazol-1-ylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide (PubChem CID 68572763) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 1-(4-imidazol-1-ylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(4-imidazol-1-ylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide
PubChem CID68572763
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name1-(4-imidazol-1-ylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1ccn(-c2ccc(-n3ccnc3)cc2)c1
InChIInChI=1S/C21H23N5O2/c27-20-3-1-11-24(20)12-2-9-23-21(28)17-8-13-25(15-17)18-4-6-19(7-5-18)26-14-10-22-16-26/h4-8,10,13-16H,1-3,9,11-12H2,(H,23,28)
InChIKeyZKJYZOOFSBMBGF-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

6-imidazol-1-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridazine-3-carboxamide
CID 121114123
N-(3-cyclopentylpropyl)-4-imidazol-1-ylbenzamide
CID 38336531
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyridine-4-carboxamide
CID 117094373
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941
5-bromo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 2532950
6-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 143798014
1-imidazol-1-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-phenylpyrrole-3-carboxamide
CID 68572761
4-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 4789496
4-methylsulfinyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 86983246
1,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide;hydrochloride
CID 45284452
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2,3-benzothiadiazole-5-carboxamide
CID 6620451
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 31360865

Frequently Asked Questions

What is the IUPAC name of 1-(4-imidazol-1-ylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide?
The IUPAC name of 1-(4-imidazol-1-ylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide (CID 68572763) is 1-(4-imidazol-1-ylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide.
What is the SMILES notation for 1-(4-imidazol-1-ylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide?
The canonical SMILES for 1-(4-imidazol-1-ylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide is O=C(NCCCN1CCCC1=O)c1ccn(-c2ccc(-n3ccnc3)cc2)c1.
What is the InChIKey of 1-(4-imidazol-1-ylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide?
The InChIKey is ZKJYZOOFSBMBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c27-20-3-1-11-24(20)12-2-9-23-21(28)17-8-13-25(15-17)18-4-6-19(7-5-18)26-14-10-22-16-26/h4-8,10,13-16H,1-3,9,11-12H2,(H,23,28).
What are the key properties of 1-(4-imidazol-1-ylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide?
1-(4-imidazol-1-ylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-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-(4-imidazol-1-ylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide is sourced from PubChem (CID 68572763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).