[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(4-imidazol-1-ylphenyl)methanone

C20H26N4O — CID 129430226

IUPAC[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(4-imidazol-1-ylphenyl)methanone
SMILESCCN1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C20H26N4O/c1-2-22-12-3-5-18(22)19-6-4-13-24(19)20(25)16-7-9-17(10-8-16)23-14-11-21-15-23/h7-11,14-15,18-19H,2-6,12-13H2,1H3/t18-,19+/m0/s1
InChIKeyAKKMWTDINAYZPC-RBUKOAKNSA-N
MW338.45 g/mol
LogP2.96
Rot. Bonds4

About [(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(4-imidazol-1-ylphenyl)methanone

[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(4-imidazol-1-ylphenyl)methanone (PubChem CID 129430226) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is [(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(4-imidazol-1-ylphenyl)methanone.

Molecular Properties

Compound Name[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(4-imidazol-1-ylphenyl)methanone
PubChem CID129430226
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(4-imidazol-1-ylphenyl)methanone
SMILESCCN1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C20H26N4O/c1-2-22-12-3-5-18(22)19-6-4-13-24(19)20(25)16-7-9-17(10-8-16)23-14-11-21-15-23/h7-11,14-15,18-19H,2-6,12-13H2,1H3/t18-,19+/m0/s1
InChIKeyAKKMWTDINAYZPC-RBUKOAKNSA-N
XLogP2.96
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-imidazol-1-ylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 47159866
(4-imidazol-1-ylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119650241
[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 95312023
(4-imidazol-1-ylphenyl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95324252
N-cyclopropyl-N-(1-ethylpiperidin-4-yl)-4-imidazol-1-ylbenzamide
CID 56822078
[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 95736225
azetidin-1-yl-(4-imidazol-1-ylphenyl)methanone
CID 166196826
(4-imidazol-1-ylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119490395
azepan-1-yl-(4-imidazol-1-ylphenyl)methanone
CID 110464231
[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 95333903
[(2S)-2-[[4-(hydroxymethyl)triazol-1-yl]methyl]pyrrolidin-1-yl]-(4-imidazol-1-ylphenyl)methanone
CID 120949941
[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 95332333

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(4-imidazol-1-ylphenyl)methanone?
The IUPAC name of [(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(4-imidazol-1-ylphenyl)methanone (CID 129430226) is [(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(4-imidazol-1-ylphenyl)methanone.
What is the SMILES notation for [(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(4-imidazol-1-ylphenyl)methanone?
The canonical SMILES for [(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(4-imidazol-1-ylphenyl)methanone is CCN1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of [(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(4-imidazol-1-ylphenyl)methanone?
The InChIKey is AKKMWTDINAYZPC-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H26N4O/c1-2-22-12-3-5-18(22)19-6-4-13-24(19)20(25)16-7-9-17(10-8-16)23-14-11-21-15-23/h7-11,14-15,18-19H,2-6,12-13H2,1H3/t18-,19+/m0/s1.
What are the key properties of [(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(4-imidazol-1-ylphenyl)methanone?
[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(4-imidazol-1-ylphenyl)methanone has a molecular weight of 338.45 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(4-imidazol-1-ylphenyl)methanone is sourced from PubChem (CID 129430226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).