1-(3-amino-2-methylpropyl)-4-(5-methylfuran-2-yl)imidazolidin-2-one

C12H19N3O2 — CID 116978725

IUPAC1-(3-amino-2-methylpropyl)-4-(5-methylfuran-2-yl)imidazolidin-2-one
SMILESCc1ccc(C2CN(CC(C)CN)C(=O)N2)o1
InChIInChI=1S/C12H19N3O2/c1-8(5-13)6-15-7-10(14-12(15)16)11-4-3-9(2)17-11/h3-4,8,10H,5-7,13H2,1-2H3,(H,14,16)
InChIKeyUHBZRODAVUTXRU-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.25
Rot. Bonds4

About 1-(3-amino-2-methylpropyl)-4-(5-methylfuran-2-yl)imidazolidin-2-one

1-(3-amino-2-methylpropyl)-4-(5-methylfuran-2-yl)imidazolidin-2-one (PubChem CID 116978725) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(3-amino-2-methylpropyl)-4-(5-methylfuran-2-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(3-amino-2-methylpropyl)-4-(5-methylfuran-2-yl)imidazolidin-2-one
PubChem CID116978725
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-(3-amino-2-methylpropyl)-4-(5-methylfuran-2-yl)imidazolidin-2-one
SMILESCc1ccc(C2CN(CC(C)CN)C(=O)N2)o1
InChIInChI=1S/C12H19N3O2/c1-8(5-13)6-15-7-10(14-12(15)16)11-4-3-9(2)17-11/h3-4,8,10H,5-7,13H2,1-2H3,(H,14,16)
InChIKeyUHBZRODAVUTXRU-UHFFFAOYSA-N
XLogP1.25
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminobutyl)-4-(5-methylfuran-2-yl)imidazolidin-2-one
CID 116978772
1-(3-amino-2-methylpropyl)-4-(2,4-dimethylphenyl)imidazolidin-2-one
CID 116978705
4-(5-methylfuran-2-yl)-1-(3-oxobutyl)imidazolidin-2-one
CID 116980562
1-(3-amino-2-methylpropyl)-4-(4-fluoro-3-methylphenyl)imidazolidin-2-one
CID 116978704
2,2-dimethyl-3-[4-(5-methylfuran-2-yl)-2-oxoimidazolidin-1-yl]propanoic acid
CID 116979749
2-[4-(5-methylfuran-2-yl)-2-oxoimidazolidin-1-yl]propanoic acid
CID 116979642
1-(2-aminopropyl)-4-(2,4,5-trimethylphenyl)imidazolidin-2-one
CID 116978407
1-(3-amino-2-methylpropyl)-4-(1-methylpiperidin-3-yl)imidazolidin-2-one
CID 116978731
(4R)-4-(5-methylfuran-2-yl)-1,3-oxazinan-2-one
CID 130804717
1-(2-aminopropyl)-4-thiophen-2-ylimidazolidin-2-one
CID 116978375
3-(5-methylfuran-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine
CID 83917617
1-(3-amino-2-methylpropyl)imidazolidin-2-one
CID 62666382

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-methylpropyl)-4-(5-methylfuran-2-yl)imidazolidin-2-one?
The IUPAC name of 1-(3-amino-2-methylpropyl)-4-(5-methylfuran-2-yl)imidazolidin-2-one (CID 116978725) is 1-(3-amino-2-methylpropyl)-4-(5-methylfuran-2-yl)imidazolidin-2-one.
What is the SMILES notation for 1-(3-amino-2-methylpropyl)-4-(5-methylfuran-2-yl)imidazolidin-2-one?
The canonical SMILES for 1-(3-amino-2-methylpropyl)-4-(5-methylfuran-2-yl)imidazolidin-2-one is Cc1ccc(C2CN(CC(C)CN)C(=O)N2)o1.
What is the InChIKey of 1-(3-amino-2-methylpropyl)-4-(5-methylfuran-2-yl)imidazolidin-2-one?
The InChIKey is UHBZRODAVUTXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8(5-13)6-15-7-10(14-12(15)16)11-4-3-9(2)17-11/h3-4,8,10H,5-7,13H2,1-2H3,(H,14,16).
What are the key properties of 1-(3-amino-2-methylpropyl)-4-(5-methylfuran-2-yl)imidazolidin-2-one?
1-(3-amino-2-methylpropyl)-4-(5-methylfuran-2-yl)imidazolidin-2-one has a molecular weight of 237.30 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-methylpropyl)-4-(5-methylfuran-2-yl)imidazolidin-2-one is sourced from PubChem (CID 116978725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).