[2-(2-phenylethenyl)pyrrolidin-1-yl]-(1-propan-2-ylimidazol-4-yl)methanone

C19H23N3O — CID 126786794

IUPAC[2-(2-phenylethenyl)pyrrolidin-1-yl]-(1-propan-2-ylimidazol-4-yl)methanone
SMILESCC(C)n1cnc(C(=O)N2CCCC2C=Cc2ccccc2)c1
InChIInChI=1S/C19H23N3O/c1-15(2)21-13-18(20-14-21)19(23)22-12-6-9-17(22)11-10-16-7-4-3-5-8-16/h3-5,7-8,10-11,13-15,17H,6,9,12H2,1-2H3
InChIKeyRVNXRZOAUBYCKU-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.78
Rot. Bonds4

About [2-(2-phenylethenyl)pyrrolidin-1-yl]-(1-propan-2-ylimidazol-4-yl)methanone

[2-(2-phenylethenyl)pyrrolidin-1-yl]-(1-propan-2-ylimidazol-4-yl)methanone (PubChem CID 126786794) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is [2-(2-phenylethenyl)pyrrolidin-1-yl]-(1-propan-2-ylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(2-phenylethenyl)pyrrolidin-1-yl]-(1-propan-2-ylimidazol-4-yl)methanone
PubChem CID126786794
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name[2-(2-phenylethenyl)pyrrolidin-1-yl]-(1-propan-2-ylimidazol-4-yl)methanone
SMILESCC(C)n1cnc(C(=O)N2CCCC2C=Cc2ccccc2)c1
InChIInChI=1S/C19H23N3O/c1-15(2)21-13-18(20-14-21)19(23)22-12-6-9-17(22)11-10-16-7-4-3-5-8-16/h3-5,7-8,10-11,13-15,17H,6,9,12H2,1-2H3
InChIKeyRVNXRZOAUBYCKU-UHFFFAOYSA-N
XLogP3.78
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Pf-3463275
CID 44156901
1-(1-hydroxy-4-phenylbutan-2-yl)-1H-imidazole-4-carboxamide
CID 3009363
FR221647
CID 447340
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone
CID 155669602
1-Benzyl-1H-imidazole-5-carboxaldehyde
CID 2773239
8-((3-(1H-Imidazol-1-YL)PR)amino)3-ME-7-(1-PH-ET)3,7-dihydro-1H-purine-2,6-dione
CID 645860
N-(2-fluoro-5-methylphenyl)-3-phenylimidazole-4-carboxamide
CID 8002584
3-benzyl-7,8-dihydro-3H-pyrrolo[2,1-f]purin-4(6H)-one
CID 755895
7-benzyl-8-(1H-imidazol-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CID 797199
4-(5-{[(1-Benzyl-2-oxo-pyrrolidin-3-yl)-propyl-amino]-methyl}-imidazol-1-ylmethyl)-benzonitrile
CID 9823857
7-Oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaene-4-carboxamide
CID 19691060
N-methoxy-N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide
CID 24828313

Frequently Asked Questions

What is the IUPAC name of [2-(2-phenylethenyl)pyrrolidin-1-yl]-(1-propan-2-ylimidazol-4-yl)methanone?
The IUPAC name of [2-(2-phenylethenyl)pyrrolidin-1-yl]-(1-propan-2-ylimidazol-4-yl)methanone (CID 126786794) is [2-(2-phenylethenyl)pyrrolidin-1-yl]-(1-propan-2-ylimidazol-4-yl)methanone.
What is the SMILES notation for [2-(2-phenylethenyl)pyrrolidin-1-yl]-(1-propan-2-ylimidazol-4-yl)methanone?
The canonical SMILES for [2-(2-phenylethenyl)pyrrolidin-1-yl]-(1-propan-2-ylimidazol-4-yl)methanone is CC(C)n1cnc(C(=O)N2CCCC2C=Cc2ccccc2)c1.
What is the InChIKey of [2-(2-phenylethenyl)pyrrolidin-1-yl]-(1-propan-2-ylimidazol-4-yl)methanone?
The InChIKey is RVNXRZOAUBYCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-15(2)21-13-18(20-14-21)19(23)22-12-6-9-17(22)11-10-16-7-4-3-5-8-16/h3-5,7-8,10-11,13-15,17H,6,9,12H2,1-2H3.
What are the key properties of [2-(2-phenylethenyl)pyrrolidin-1-yl]-(1-propan-2-ylimidazol-4-yl)methanone?
[2-(2-phenylethenyl)pyrrolidin-1-yl]-(1-propan-2-ylimidazol-4-yl)methanone has a molecular weight of 309.41 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-phenylethenyl)pyrrolidin-1-yl]-(1-propan-2-ylimidazol-4-yl)methanone is sourced from PubChem (CID 126786794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).