2-(2-methylimidazol-1-yl)-1-[(2R)-2-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone

C20H27N5O — CID 125018486

IUPAC2-(2-methylimidazol-1-yl)-1-[(2R)-2-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
SMILESCc1nccn1CC(=O)N1CCC[C@@H]1c1ccc(CN2CCCC2)cn1
InChIInChI=1S/C20H27N5O/c1-16-21-8-12-24(16)15-20(26)25-11-4-5-19(25)18-7-6-17(13-22-18)14-23-9-2-3-10-23/h6-8,12-13,19H,2-5,9-11,14-15H2,1H3/t19-/m1/s1
InChIKeyXOZRMDAQFIPAKE-LJQANCHMSA-N
MW353.47 g/mol
LogP2.55
Rot. Bonds5

About 2-(2-methylimidazol-1-yl)-1-[(2R)-2-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone

2-(2-methylimidazol-1-yl)-1-[(2R)-2-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone (PubChem CID 125018486) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-(2-methylimidazol-1-yl)-1-[(2R)-2-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methylimidazol-1-yl)-1-[(2R)-2-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
PubChem CID125018486
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name2-(2-methylimidazol-1-yl)-1-[(2R)-2-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
SMILESCc1nccn1CC(=O)N1CCC[C@@H]1c1ccc(CN2CCCC2)cn1
InChIInChI=1S/C20H27N5O/c1-16-21-8-12-24(16)15-20(26)25-11-4-5-19(25)18-7-6-17(13-22-18)14-23-9-2-3-10-23/h6-8,12-13,19H,2-5,9-11,14-15H2,1H3/t19-/m1/s1
InChIKeyXOZRMDAQFIPAKE-LJQANCHMSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 125001192
2-(2-methylimidazol-1-yl)-1-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 124966203
(1-methylpyrrol-2-yl)-[(2S)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 124952337
2-(2-methylimidazol-1-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 125010475
1-[(2S)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
CID 124962957
2-(2-methylimidazol-1-yl)-1-[3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
CID 70732883
[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 94810217
(3S)-3-methyl-4-[2-(2-methylimidazol-1-yl)acetyl]-1,4-diazepan-2-one
CID 154770775
1-[(2R)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 95838461
N-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 43918037
N-[[6-[(2S)-1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 124939627
1-cyclopentyl-2-(2-methylimidazol-1-yl)ethanone
CID 115919041

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazol-1-yl)-1-[(2R)-2-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2-methylimidazol-1-yl)-1-[(2R)-2-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone (CID 125018486) is 2-(2-methylimidazol-1-yl)-1-[(2R)-2-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methylimidazol-1-yl)-1-[(2R)-2-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methylimidazol-1-yl)-1-[(2R)-2-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone is Cc1nccn1CC(=O)N1CCC[C@@H]1c1ccc(CN2CCCC2)cn1.
What is the InChIKey of 2-(2-methylimidazol-1-yl)-1-[(2R)-2-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone?
The InChIKey is XOZRMDAQFIPAKE-LJQANCHMSA-N. The full InChI is InChI=1S/C20H27N5O/c1-16-21-8-12-24(16)15-20(26)25-11-4-5-19(25)18-7-6-17(13-22-18)14-23-9-2-3-10-23/h6-8,12-13,19H,2-5,9-11,14-15H2,1H3/t19-/m1/s1.
What are the key properties of 2-(2-methylimidazol-1-yl)-1-[(2R)-2-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone?
2-(2-methylimidazol-1-yl)-1-[(2R)-2-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone has a molecular weight of 353.47 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazol-1-yl)-1-[(2R)-2-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 125018486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).