[(2R)-2-phenylpyrrolidin-1-yl]-[3-(1-propan-2-ylimidazol-2-yl)phenyl]methanone

C23H25N3O — CID 125167205

IUPAC[(2R)-2-phenylpyrrolidin-1-yl]-[3-(1-propan-2-ylimidazol-2-yl)phenyl]methanone
SMILESCC(C)n1ccnc1-c1cccc(C(=O)N2CCC[C@@H]2c2ccccc2)c1
InChIInChI=1S/C23H25N3O/c1-17(2)25-15-13-24-22(25)19-10-6-11-20(16-19)23(27)26-14-7-12-21(26)18-8-4-3-5-9-18/h3-6,8-11,13,15-17,21H,7,12,14H2,1-2H3/t21-/m1/s1
InChIKeyPKKMSMBSFKKOBS-OAQYLSRUSA-N
MW359.47 g/mol
LogP5.11
Rot. Bonds4

About [(2R)-2-phenylpyrrolidin-1-yl]-[3-(1-propan-2-ylimidazol-2-yl)phenyl]methanone

[(2R)-2-phenylpyrrolidin-1-yl]-[3-(1-propan-2-ylimidazol-2-yl)phenyl]methanone (PubChem CID 125167205) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is [(2R)-2-phenylpyrrolidin-1-yl]-[3-(1-propan-2-ylimidazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2R)-2-phenylpyrrolidin-1-yl]-[3-(1-propan-2-ylimidazol-2-yl)phenyl]methanone
PubChem CID125167205
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name[(2R)-2-phenylpyrrolidin-1-yl]-[3-(1-propan-2-ylimidazol-2-yl)phenyl]methanone
SMILESCC(C)n1ccnc1-c1cccc(C(=O)N2CCC[C@@H]2c2ccccc2)c1
InChIInChI=1S/C23H25N3O/c1-17(2)25-15-13-24-22(25)19-10-6-11-20(16-19)23(27)26-14-7-12-21(26)18-8-4-3-5-9-18/h3-6,8-11,13,15-17,21H,7,12,14H2,1-2H3/t21-/m1/s1
InChIKeyPKKMSMBSFKKOBS-OAQYLSRUSA-N
XLogP5.11
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-(furan-2-yl)azepan-1-yl]-[3-(1-propan-2-ylimidazol-2-yl)phenyl]methanone
CID 125177371
(3-bromophenyl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone
CID 41264423
(2-fluoro-4-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 61294927
(2,6-dipyridin-2-yl-4-pyridinyl)-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone
CID 171673570
2H-benzotriazol-5-yl-(2-phenylpyrrolidin-1-yl)methanone
CID 24658228
2-methyl-5-(2-phenylpyrrolidine-1-carbonyl)benzamide
CID 141321340
5-(1-propan-2-ylimidazol-2-yl)benzene-1,3-dicarboxylic acid
CID 122560785
(3-bromophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 46632632
[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
CID 125001597
(2-chloroquinolin-6-yl)-(2-phenylpyrrolidin-1-yl)methanone
CID 55731293
[(2S)-2-[3-(1-methylimidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-phenylmethanone
CID 124998253
(5-iodothiophen-3-yl)-(2-phenylpyrrolidin-1-yl)methanone
CID 78949928

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-phenylpyrrolidin-1-yl]-[3-(1-propan-2-ylimidazol-2-yl)phenyl]methanone?
The IUPAC name of [(2R)-2-phenylpyrrolidin-1-yl]-[3-(1-propan-2-ylimidazol-2-yl)phenyl]methanone (CID 125167205) is [(2R)-2-phenylpyrrolidin-1-yl]-[3-(1-propan-2-ylimidazol-2-yl)phenyl]methanone.
What is the SMILES notation for [(2R)-2-phenylpyrrolidin-1-yl]-[3-(1-propan-2-ylimidazol-2-yl)phenyl]methanone?
The canonical SMILES for [(2R)-2-phenylpyrrolidin-1-yl]-[3-(1-propan-2-ylimidazol-2-yl)phenyl]methanone is CC(C)n1ccnc1-c1cccc(C(=O)N2CCC[C@@H]2c2ccccc2)c1.
What is the InChIKey of [(2R)-2-phenylpyrrolidin-1-yl]-[3-(1-propan-2-ylimidazol-2-yl)phenyl]methanone?
The InChIKey is PKKMSMBSFKKOBS-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H25N3O/c1-17(2)25-15-13-24-22(25)19-10-6-11-20(16-19)23(27)26-14-7-12-21(26)18-8-4-3-5-9-18/h3-6,8-11,13,15-17,21H,7,12,14H2,1-2H3/t21-/m1/s1.
What are the key properties of [(2R)-2-phenylpyrrolidin-1-yl]-[3-(1-propan-2-ylimidazol-2-yl)phenyl]methanone?
[(2R)-2-phenylpyrrolidin-1-yl]-[3-(1-propan-2-ylimidazol-2-yl)phenyl]methanone has a molecular weight of 359.47 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-phenylpyrrolidin-1-yl]-[3-(1-propan-2-ylimidazol-2-yl)phenyl]methanone is sourced from PubChem (CID 125167205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).