3-imidazol-1-yl-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one

C15H22N4O2 — CID 59940898

IUPAC3-imidazol-1-yl-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
SMILESO=C([C@@H]1CCCN1C(=O)CCn1ccnc1)N1CCCC1
InChIInChI=1S/C15H22N4O2/c20-14(5-10-17-11-6-16-12-17)19-9-3-4-13(19)15(21)18-7-1-2-8-18/h6,11-13H,1-5,7-10H2/t13-/m0/s1
InChIKeyBSXNFJUFVCUXGK-ZDUSSCGKSA-N
MW290.37 g/mol
LogP0.89
Rot. Bonds4

About 3-imidazol-1-yl-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one

3-imidazol-1-yl-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 59940898) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-imidazol-1-yl-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-imidazol-1-yl-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
PubChem CID59940898
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name3-imidazol-1-yl-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
SMILESO=C([C@@H]1CCCN1C(=O)CCn1ccnc1)N1CCCC1
InChIInChI=1S/C15H22N4O2/c20-14(5-10-17-11-6-16-12-17)19-9-3-4-13(19)15(21)18-7-1-2-8-18/h6,11-13H,1-5,7-10H2/t13-/m0/s1
InChIKeyBSXNFJUFVCUXGK-ZDUSSCGKSA-N
XLogP0.89
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-imidazol-1-yl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 81484917
1-[2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 53015946
1-[(2R)-2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 94582616
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 66260854
1-[3,5-bis(3-imidazol-1-ylpropanoyl)-1,3,5-triazinan-1-yl]-3-imidazol-1-ylpropan-1-one
CID 118048041
3-imidazol-1-yl-1-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 125002954
1-[(2R)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 95309733
3-imidazol-1-yl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 63248882
3-imidazol-1-yl-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 124966328
2-bromo-1-[2-(piperidine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 102537702
4-imidazol-1-yl-1-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]butan-1-one
CID 124943315
6-chloro-2-[4-oxo-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butyl]pyridazin-3-one
CID 59940988

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-imidazol-1-yl-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one (CID 59940898) is 3-imidazol-1-yl-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-imidazol-1-yl-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-imidazol-1-yl-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one is O=C([C@@H]1CCCN1C(=O)CCn1ccnc1)N1CCCC1.
What is the InChIKey of 3-imidazol-1-yl-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is BSXNFJUFVCUXGK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N4O2/c20-14(5-10-17-11-6-16-12-17)19-9-3-4-13(19)15(21)18-7-1-2-8-18/h6,11-13H,1-5,7-10H2/t13-/m0/s1.
What are the key properties of 3-imidazol-1-yl-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one?
3-imidazol-1-yl-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 290.37 g/mol, XLogP of 0.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 59940898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).