1-(1-aminopropan-2-yl)-4-(3-methylthiophen-2-yl)imidazolidin-2-one

C11H17N3OS — CID 116978369

IUPAC1-(1-aminopropan-2-yl)-4-(3-methylthiophen-2-yl)imidazolidin-2-one
SMILESCc1ccsc1C1CN(C(C)CN)C(=O)N1
InChIInChI=1S/C11H17N3OS/c1-7-3-4-16-10(7)9-6-14(8(2)5-12)11(15)13-9/h3-4,8-9H,5-6,12H2,1-2H3,(H,13,15)
InChIKeyQIDKVJGNLIEMEK-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.47
Rot. Bonds3

About 1-(1-aminopropan-2-yl)-4-(3-methylthiophen-2-yl)imidazolidin-2-one

1-(1-aminopropan-2-yl)-4-(3-methylthiophen-2-yl)imidazolidin-2-one (PubChem CID 116978369) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-(1-aminopropan-2-yl)-4-(3-methylthiophen-2-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(1-aminopropan-2-yl)-4-(3-methylthiophen-2-yl)imidazolidin-2-one
PubChem CID116978369
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name1-(1-aminopropan-2-yl)-4-(3-methylthiophen-2-yl)imidazolidin-2-one
SMILESCc1ccsc1C1CN(C(C)CN)C(=O)N1
InChIInChI=1S/C11H17N3OS/c1-7-3-4-16-10(7)9-6-14(8(2)5-12)11(15)13-9/h3-4,8-9H,5-6,12H2,1-2H3,(H,13,15)
InChIKeyQIDKVJGNLIEMEK-UHFFFAOYSA-N
XLogP1.47
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminopropan-2-yl)-4-(3-methylthiophen-2-yl)imidazolidin-2-one?
The IUPAC name of 1-(1-aminopropan-2-yl)-4-(3-methylthiophen-2-yl)imidazolidin-2-one (CID 116978369) is 1-(1-aminopropan-2-yl)-4-(3-methylthiophen-2-yl)imidazolidin-2-one.
What is the SMILES notation for 1-(1-aminopropan-2-yl)-4-(3-methylthiophen-2-yl)imidazolidin-2-one?
The canonical SMILES for 1-(1-aminopropan-2-yl)-4-(3-methylthiophen-2-yl)imidazolidin-2-one is Cc1ccsc1C1CN(C(C)CN)C(=O)N1.
What is the InChIKey of 1-(1-aminopropan-2-yl)-4-(3-methylthiophen-2-yl)imidazolidin-2-one?
The InChIKey is QIDKVJGNLIEMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-7-3-4-16-10(7)9-6-14(8(2)5-12)11(15)13-9/h3-4,8-9H,5-6,12H2,1-2H3,(H,13,15).
What are the key properties of 1-(1-aminopropan-2-yl)-4-(3-methylthiophen-2-yl)imidazolidin-2-one?
1-(1-aminopropan-2-yl)-4-(3-methylthiophen-2-yl)imidazolidin-2-one has a molecular weight of 239.34 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminopropan-2-yl)-4-(3-methylthiophen-2-yl)imidazolidin-2-one is sourced from PubChem (CID 116978369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).