4-(2-methylimidazol-1-yl)-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butan-1-one

C17H26N4O2 — CID 59940956

IUPAC4-(2-methylimidazol-1-yl)-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butan-1-one
SMILESCc1nccn1CCCC(=O)N1CCC[C@H]1C(=O)N1CCCC1
InChIInChI=1S/C17H26N4O2/c1-14-18-8-13-19(14)11-5-7-16(22)21-12-4-6-15(21)17(23)20-9-2-3-10-20/h8,13,15H,2-7,9-12H2,1H3/t15-/m0/s1
InChIKeyLHVGOGKTNXGHKT-HNNXBMFYSA-N
MW318.42 g/mol
LogP1.59
Rot. Bonds5

About 4-(2-methylimidazol-1-yl)-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butan-1-one

4-(2-methylimidazol-1-yl)-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butan-1-one (PubChem CID 59940956) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-(2-methylimidazol-1-yl)-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-(2-methylimidazol-1-yl)-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butan-1-one
PubChem CID59940956
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name4-(2-methylimidazol-1-yl)-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butan-1-one
SMILESCc1nccn1CCCC(=O)N1CCC[C@H]1C(=O)N1CCCC1
InChIInChI=1S/C17H26N4O2/c1-14-18-8-13-19(14)11-5-7-16(22)21-12-4-6-15(21)17(23)20-9-2-3-10-20/h8,13,15H,2-7,9-12H2,1H3/t15-/m0/s1
InChIKeyLHVGOGKTNXGHKT-HNNXBMFYSA-N
XLogP1.59
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Imidazol-1-ylbut-2-ynyl)-5-methylpyrrolidin-2-one
CID 15065554
tert-butyl (2S)-2-(1H-imidazole-1-carbonyl)pyrrolidine-1-carboxylate
CID 14061183
N-[3-(1H-imidazol-1-yl)propyl]-5-oxoprolinamide
CID 653923
N-tert-butyl-1-(3-imidazol-1-ylpropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 51361563
5-(1-Butyltetrazol-5-yl)-1-(3-imidazol-1-ylpropyl)-5-methylpyrrolidin-2-one
CID 53300809
H-Pyr-Ala(imidazol-2-yl)(imidazol-2-yl)-Pro-NH2
CID 452611
Pyrrolidin-1-yl-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-2-yl]methanone
CID 53553936
2-[4-[(1-Ethylimidazol-2-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 53559979
(2S,4S)-4-[(2,2-dimethylpropanoyl)amino]-N-(1H-imidazol-2-ylmethyl)-1-methylpyrrolidine-2-carboxamide
CID 56718025
1-(2-(4-((2-isopropyl-1H-imidazol-1-yl)methyl)piperidin-1-yl)-2-oxoethyl)pyrrolidine-2,5-dione
CID 56724045
3-Methyl-1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-pyrrolidin-1-ylbutan-1-one
CID 56802160
N-({(2S,4S)-4-fluoro-1-[4-(2-methyl-1H-imidazol-1-yl)butanoyl]pyrrolidin-2-yl}methyl)-3-methylbutanamide
CID 70755207

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylimidazol-1-yl)-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butan-1-one?
The IUPAC name of 4-(2-methylimidazol-1-yl)-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butan-1-one (CID 59940956) is 4-(2-methylimidazol-1-yl)-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 4-(2-methylimidazol-1-yl)-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 4-(2-methylimidazol-1-yl)-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butan-1-one is Cc1nccn1CCCC(=O)N1CCC[C@H]1C(=O)N1CCCC1.
What is the InChIKey of 4-(2-methylimidazol-1-yl)-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butan-1-one?
The InChIKey is LHVGOGKTNXGHKT-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-14-18-8-13-19(14)11-5-7-16(22)21-12-4-6-15(21)17(23)20-9-2-3-10-20/h8,13,15H,2-7,9-12H2,1H3/t15-/m0/s1.
What are the key properties of 4-(2-methylimidazol-1-yl)-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butan-1-one?
4-(2-methylimidazol-1-yl)-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butan-1-one has a molecular weight of 318.42 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylimidazol-1-yl)-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 59940956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).