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

C12H19N3O2 — CID 116978772

IUPAC1-(3-aminobutyl)-4-(5-methylfuran-2-yl)imidazolidin-2-one
SMILESCc1ccc(C2CN(CCC(C)N)C(=O)N2)o1
InChIInChI=1S/C12H19N3O2/c1-8(13)5-6-15-7-10(14-12(15)16)11-4-3-9(2)17-11/h3-4,8,10H,5-7,13H2,1-2H3,(H,14,16)
InChIKeyDTIGULHCYWLBEL-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.39
Rot. Bonds4

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

1-(3-aminobutyl)-4-(5-methylfuran-2-yl)imidazolidin-2-one (PubChem CID 116978772) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(3-aminobutyl)-4-(5-methylfuran-2-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(3-aminobutyl)-4-(5-methylfuran-2-yl)imidazolidin-2-one
PubChem CID116978772
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-(3-aminobutyl)-4-(5-methylfuran-2-yl)imidazolidin-2-one
SMILESCc1ccc(C2CN(CCC(C)N)C(=O)N2)o1
InChIInChI=1S/C12H19N3O2/c1-8(13)5-6-15-7-10(14-12(15)16)11-4-3-9(2)17-11/h3-4,8,10H,5-7,13H2,1-2H3,(H,14,16)
InChIKeyDTIGULHCYWLBEL-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminobutyl)-4-(5-methylfuran-2-yl)imidazolidin-2-one?
The IUPAC name of 1-(3-aminobutyl)-4-(5-methylfuran-2-yl)imidazolidin-2-one (CID 116978772) is 1-(3-aminobutyl)-4-(5-methylfuran-2-yl)imidazolidin-2-one.
What is the SMILES notation for 1-(3-aminobutyl)-4-(5-methylfuran-2-yl)imidazolidin-2-one?
The canonical SMILES for 1-(3-aminobutyl)-4-(5-methylfuran-2-yl)imidazolidin-2-one is Cc1ccc(C2CN(CCC(C)N)C(=O)N2)o1.
What is the InChIKey of 1-(3-aminobutyl)-4-(5-methylfuran-2-yl)imidazolidin-2-one?
The InChIKey is DTIGULHCYWLBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8(13)5-6-15-7-10(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-aminobutyl)-4-(5-methylfuran-2-yl)imidazolidin-2-one?
1-(3-aminobutyl)-4-(5-methylfuran-2-yl)imidazolidin-2-one has a molecular weight of 237.30 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminobutyl)-4-(5-methylfuran-2-yl)imidazolidin-2-one is sourced from PubChem (CID 116978772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).