1-[2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone

C20H27N5O — CID 110268084

IUPAC1-[2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
SMILESCCc1nccn1-c1cccc(C2CCCN2C(=O)CN2CCCC2)n1
InChIInChI=1S/C20H27N5O/c1-2-18-21-10-14-25(18)19-9-5-7-16(22-19)17-8-6-13-24(17)20(26)15-23-11-3-4-12-23/h5,7,9-10,14,17H,2-4,6,8,11-13,15H2,1H3
InChIKeyXHVXCYZPKXRTEV-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.59
Rot. Bonds5

About 1-[2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone

1-[2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone (PubChem CID 110268084) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-[2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name1-[2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
PubChem CID110268084
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name1-[2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
SMILESCCc1nccn1-c1cccc(C2CCCN2C(=O)CN2CCCC2)n1
InChIInChI=1S/C20H27N5O/c1-2-18-21-10-14-25(18)19-9-5-7-16(22-19)17-8-6-13-24(17)20(26)15-23-11-3-4-12-23/h5,7,9-10,14,17H,2-4,6,8,11-13,15H2,1H3
InChIKeyXHVXCYZPKXRTEV-UHFFFAOYSA-N
XLogP2.59
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone with MolForge

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Related Compounds

1-[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95815928
2-(dimethylamino)-1-[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95838931
1-[(2R)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-phenoxyethanone
CID 95838940
[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 95838768
[(2R)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 95839151
2-(2-ethylimidazol-1-yl)-6-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 95839014
2-[3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 110268056
1-[3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 110267980
2-[(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]acetamide
CID 95815984
2-[(2R)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanol
CID 95815943
2-(1-benzylpyrrolidin-2-yl)-6-(2-ethylimidazol-1-yl)pyridine
CID 110268024
1-[(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 95838357

Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone?
The IUPAC name of 1-[2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone (CID 110268084) is 1-[2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone.
What is the SMILES notation for 1-[2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone?
The canonical SMILES for 1-[2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone is CCc1nccn1-c1cccc(C2CCCN2C(=O)CN2CCCC2)n1.
What is the InChIKey of 1-[2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone?
The InChIKey is XHVXCYZPKXRTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-2-18-21-10-14-25(18)19-9-5-7-16(22-19)17-8-6-13-24(17)20(26)15-23-11-3-4-12-23/h5,7,9-10,14,17H,2-4,6,8,11-13,15H2,1H3.
What are the key properties of 1-[2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone?
1-[2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone has a molecular weight of 353.47 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 110268084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).