2-(1-imidazol-1-ylpropan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one

C13H22N4O — CID 54958720

IUPAC2-(1-imidazol-1-ylpropan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(Cn1ccnc1)NC(C)C(=O)N1CCCC1
InChIInChI=1S/C13H22N4O/c1-11(9-16-8-5-14-10-16)15-12(2)13(18)17-6-3-4-7-17/h5,8,10-12,15H,3-4,6-7,9H2,1-2H3
InChIKeyLPHKCNBERSYTIO-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.87
Rot. Bonds5

About 2-(1-imidazol-1-ylpropan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one

2-(1-imidazol-1-ylpropan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 54958720) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-(1-imidazol-1-ylpropan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(1-imidazol-1-ylpropan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID54958720
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-(1-imidazol-1-ylpropan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(Cn1ccnc1)NC(C)C(=O)N1CCCC1
InChIInChI=1S/C13H22N4O/c1-11(9-16-8-5-14-10-16)15-12(2)13(18)17-6-3-4-7-17/h5,8,10-12,15H,3-4,6-7,9H2,1-2H3
InChIKeyLPHKCNBERSYTIO-UHFFFAOYSA-N
XLogP0.87
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-imidazol-1-ylpropan-2-ylamino)-N-propylpropanamide
CID 54959021
N-tert-butyl-2-(1-imidazol-1-ylpropan-2-ylamino)propanamide
CID 54958672
N-[(2S)-1-imidazol-1-ylbutan-2-yl]azocane-1-carboxamide
CID 126446563
2-(1-piperidin-1-ylpropan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 54938177
[4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 56718318
N-[(2S)-1-imidazol-1-ylpropan-2-yl]thiomorpholine-4-carboxamide
CID 94122810
2-(1-imidazol-1-ylpropan-2-ylamino)-N-propan-2-ylacetamide
CID 61482336
2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoacetic acid
CID 61480681
3-(1-imidazol-1-ylpropan-2-ylamino)-N-methylpropanamide
CID 62324788
N-cyclohexyl-4-[[(2R)-1-imidazol-1-ylpropan-2-yl]amino]piperidine-1-carboxamide
CID 95388436
(2S)-2-(pentan-2-ylamino)-1-piperidin-1-ylpropan-1-one
CID 103902059
2-amino-N-(1-imidazol-1-ylpropan-2-yl)propanamide
CID 43695457

Frequently Asked Questions

What is the IUPAC name of 2-(1-imidazol-1-ylpropan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-(1-imidazol-1-ylpropan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one (CID 54958720) is 2-(1-imidazol-1-ylpropan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(1-imidazol-1-ylpropan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-(1-imidazol-1-ylpropan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one is CC(Cn1ccnc1)NC(C)C(=O)N1CCCC1.
What is the InChIKey of 2-(1-imidazol-1-ylpropan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is LPHKCNBERSYTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-11(9-16-8-5-14-10-16)15-12(2)13(18)17-6-3-4-7-17/h5,8,10-12,15H,3-4,6-7,9H2,1-2H3.
What are the key properties of 2-(1-imidazol-1-ylpropan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one?
2-(1-imidazol-1-ylpropan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 250.35 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-imidazol-1-ylpropan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 54958720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).