2-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]-1-pyrrolidin-1-ylethanone

C14H24N4O — CID 66401124

IUPAC2-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCC(C)CNCc1nccn1CC(=O)N1CCCC1
InChIInChI=1S/C14H24N4O/c1-12(2)9-15-10-13-16-5-8-18(13)11-14(19)17-6-3-4-7-17/h5,8,12,15H,3-4,6-7,9-11H2,1-2H3
InChIKeyAGMDCYGDMRYNGG-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.25
Rot. Bonds6

About 2-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]-1-pyrrolidin-1-ylethanone

2-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 66401124) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID66401124
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCC(C)CNCc1nccn1CC(=O)N1CCCC1
InChIInChI=1S/C14H24N4O/c1-12(2)9-15-10-13-16-5-8-18(13)11-14(19)17-6-3-4-7-17/h5,8,12,15H,3-4,6-7,9-11H2,1-2H3
InChIKeyAGMDCYGDMRYNGG-UHFFFAOYSA-N
XLogP1.25
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azepan-1-yl)-2-[2-(hydroxymethyl)imidazol-1-yl]ethanone
CID 55048705
2-methyl-N-[[1-(3-pyrrolidin-1-ylpropyl)imidazol-2-yl]methyl]propan-1-amine
CID 66400727
1-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-2-ol
CID 66402680
N-[[1-(2-cyclopentylethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine
CID 114191659
2-methyl-N-[[1-(4-methylpentyl)imidazol-2-yl]methyl]propan-1-amine
CID 83158054
2-methyl-4-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]butan-2-ol
CID 79356035
3-[(1-methylimidazol-2-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 55024779
2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide
CID 62223227
N-[[1-(2,3-dihydro-1H-inden-5-ylmethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine
CID 66401707
1-(2-methylpropyl)-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrazin-2-one
CID 115765269
2-methyl-N-[[1-(2-propylsulfonylethyl)imidazol-2-yl]methyl]propan-1-amine
CID 106717713
N-[(1-ethylimidazol-2-yl)methyl]-2-methyl-3-piperidin-1-ylpropan-1-amine
CID 62350659

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]-1-pyrrolidin-1-ylethanone (CID 66401124) is 2-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]-1-pyrrolidin-1-ylethanone is CC(C)CNCc1nccn1CC(=O)N1CCCC1.
What is the InChIKey of 2-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is AGMDCYGDMRYNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-12(2)9-15-10-13-16-5-8-18(13)11-14(19)17-6-3-4-7-17/h5,8,12,15H,3-4,6-7,9-11H2,1-2H3.
What are the key properties of 2-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]-1-pyrrolidin-1-ylethanone?
2-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 264.37 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 66401124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).