3-imidazol-1-yl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one

C12H20N4O — CID 81484917

IUPAC3-imidazol-1-yl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
SMILESCNCC1CCCN1C(=O)CCn1ccnc1
InChIInChI=1S/C12H20N4O/c1-13-9-11-3-2-6-16(11)12(17)4-7-15-8-5-14-10-15/h5,8,10-11,13H,2-4,6-7,9H2,1H3
InChIKeySSVYPASQPVHYEJ-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.48
Rot. Bonds5

About 3-imidazol-1-yl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one

3-imidazol-1-yl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 81484917) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-imidazol-1-yl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-imidazol-1-yl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
PubChem CID81484917
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-imidazol-1-yl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
SMILESCNCC1CCCN1C(=O)CCn1ccnc1
InChIInChI=1S/C12H20N4O/c1-13-9-11-3-2-6-16(11)12(17)4-7-15-8-5-14-10-15/h5,8,10-11,13H,2-4,6-7,9H2,1H3
InChIKeySSVYPASQPVHYEJ-UHFFFAOYSA-N
XLogP0.48
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-imidazol-1-yl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 63248882
1-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704922
3-imidazol-1-yl-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 59940898
tert-butyl 2-[(4-imidazol-1-ylbutylamino)methyl]pyrrolidine-1-carboxylate
CID 106638257
tert-butyl 2-[(3-imidazol-1-ylpropylamino)methyl]pyrrolidine-1-carboxylate
CID 106636861
3-imidazol-1-yl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one
CID 81469967
(4-imidazol-1-ylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119650241
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-(2-methyl-4-nitroimidazol-1-yl)propan-1-one
CID 119649287
1-[(2R)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 95309733
4-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one
CID 119652276
1-[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-3-imidazol-1-ylpropan-1-one
CID 75387548
tert-butyl 2-[(3-imidazol-1-ylpropylamino)methyl]piperidine-1-carboxylate
CID 106633089

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-imidazol-1-yl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one (CID 81484917) is 3-imidazol-1-yl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-imidazol-1-yl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-imidazol-1-yl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one is CNCC1CCCN1C(=O)CCn1ccnc1.
What is the InChIKey of 3-imidazol-1-yl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is SSVYPASQPVHYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-13-9-11-3-2-6-16(11)12(17)4-7-15-8-5-14-10-15/h5,8,10-11,13H,2-4,6-7,9H2,1H3.
What are the key properties of 3-imidazol-1-yl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one?
3-imidazol-1-yl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 236.32 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 81484917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).