2-[3-(1-methylimidazol-2-yl)pyrrolidin-1-yl]-2-oxo-N-(1-phenylimidazol-2-yl)acetamide

C19H20N6O2 — CID 166236817

IUPAC2-[3-(1-methylimidazol-2-yl)pyrrolidin-1-yl]-2-oxo-N-(1-phenylimidazol-2-yl)acetamide
SMILESCn1ccnc1C1CCN(C(=O)C(=O)Nc2nccn2-c2ccccc2)C1
InChIInChI=1S/C19H20N6O2/c1-23-11-8-20-16(23)14-7-10-24(13-14)18(27)17(26)22-19-21-9-12-25(19)15-5-3-2-4-6-15/h2-6,8-9,11-12,14H,7,10,13H2,1H3,(H,21,22,26)
InChIKeyQFXQAMGDWOYKTP-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.56
Rot. Bonds3

About 2-[3-(1-methylimidazol-2-yl)pyrrolidin-1-yl]-2-oxo-N-(1-phenylimidazol-2-yl)acetamide

2-[3-(1-methylimidazol-2-yl)pyrrolidin-1-yl]-2-oxo-N-(1-phenylimidazol-2-yl)acetamide (PubChem CID 166236817) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-[3-(1-methylimidazol-2-yl)pyrrolidin-1-yl]-2-oxo-N-(1-phenylimidazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-(1-methylimidazol-2-yl)pyrrolidin-1-yl]-2-oxo-N-(1-phenylimidazol-2-yl)acetamide
PubChem CID166236817
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name2-[3-(1-methylimidazol-2-yl)pyrrolidin-1-yl]-2-oxo-N-(1-phenylimidazol-2-yl)acetamide
SMILESCn1ccnc1C1CCN(C(=O)C(=O)Nc2nccn2-c2ccccc2)C1
InChIInChI=1S/C19H20N6O2/c1-23-11-8-20-16(23)14-7-10-24(13-14)18(27)17(26)22-19-21-9-12-25(19)15-5-3-2-4-6-15/h2-6,8-9,11-12,14H,7,10,13H2,1H3,(H,21,22,26)
InChIKeyQFXQAMGDWOYKTP-UHFFFAOYSA-N
XLogP1.56
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-N-(1-phenylimidazol-2-yl)-2-[3-(triazol-2-yl)piperidin-1-yl]acetamide
CID 166260738
3-(1-methylimidazol-2-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboxamide
CID 136517806
3-(1-methylimidazol-2-yl)-N-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 127665760
2-cyclobutyl-N-(1-phenylimidazol-2-yl)acetamide
CID 91653270
N-(3-bromo-4-pyridinyl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide
CID 127788298
N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide
CID 127666931
1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone
CID 70767253
N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide
CID 132984539
[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(1-methyl-4-phenylpiperidin-4-yl)methanone
CID 96576461
1-[2-[3-(1-methylimidazol-2-yl)piperidin-1-yl]ethyl]-4-phenylpiperazine
CID 91828668
N-(4-tert-butylcycloheptyl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide
CID 127982606
[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(3-phenoxyphenyl)methanone
CID 96579127

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-methylimidazol-2-yl)pyrrolidin-1-yl]-2-oxo-N-(1-phenylimidazol-2-yl)acetamide?
The IUPAC name of 2-[3-(1-methylimidazol-2-yl)pyrrolidin-1-yl]-2-oxo-N-(1-phenylimidazol-2-yl)acetamide (CID 166236817) is 2-[3-(1-methylimidazol-2-yl)pyrrolidin-1-yl]-2-oxo-N-(1-phenylimidazol-2-yl)acetamide.
What is the SMILES notation for 2-[3-(1-methylimidazol-2-yl)pyrrolidin-1-yl]-2-oxo-N-(1-phenylimidazol-2-yl)acetamide?
The canonical SMILES for 2-[3-(1-methylimidazol-2-yl)pyrrolidin-1-yl]-2-oxo-N-(1-phenylimidazol-2-yl)acetamide is Cn1ccnc1C1CCN(C(=O)C(=O)Nc2nccn2-c2ccccc2)C1.
What is the InChIKey of 2-[3-(1-methylimidazol-2-yl)pyrrolidin-1-yl]-2-oxo-N-(1-phenylimidazol-2-yl)acetamide?
The InChIKey is QFXQAMGDWOYKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-23-11-8-20-16(23)14-7-10-24(13-14)18(27)17(26)22-19-21-9-12-25(19)15-5-3-2-4-6-15/h2-6,8-9,11-12,14H,7,10,13H2,1H3,(H,21,22,26).
What are the key properties of 2-[3-(1-methylimidazol-2-yl)pyrrolidin-1-yl]-2-oxo-N-(1-phenylimidazol-2-yl)acetamide?
2-[3-(1-methylimidazol-2-yl)pyrrolidin-1-yl]-2-oxo-N-(1-phenylimidazol-2-yl)acetamide has a molecular weight of 364.41 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-methylimidazol-2-yl)pyrrolidin-1-yl]-2-oxo-N-(1-phenylimidazol-2-yl)acetamide is sourced from PubChem (CID 166236817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).