5-amino-3-cyclopropyl-4-thiophen-2-yl-4H-imidazol-2-one

C10H11N3OS — CID 79960261

IUPAC5-amino-3-cyclopropyl-4-thiophen-2-yl-4H-imidazol-2-one
SMILESNC1=NC(=O)N(C2CC2)C1c1cccs1
InChIInChI=1S/C10H11N3OS/c11-9-8(7-2-1-5-15-7)13(6-3-4-6)10(14)12-9/h1-2,5-6,8H,3-4H2,(H2,11,12,14)
InChIKeyQQNSYOUSWPMCEV-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.74
Rot. Bonds2

About 5-amino-3-cyclopropyl-4-thiophen-2-yl-4H-imidazol-2-one

5-amino-3-cyclopropyl-4-thiophen-2-yl-4H-imidazol-2-one (PubChem CID 79960261) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is 5-amino-3-cyclopropyl-4-thiophen-2-yl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-cyclopropyl-4-thiophen-2-yl-4H-imidazol-2-one
PubChem CID79960261
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC Name5-amino-3-cyclopropyl-4-thiophen-2-yl-4H-imidazol-2-one
SMILESNC1=NC(=O)N(C2CC2)C1c1cccs1
InChIInChI=1S/C10H11N3OS/c11-9-8(7-2-1-5-15-7)13(6-3-4-6)10(14)12-9/h1-2,5-6,8H,3-4H2,(H2,11,12,14)
InChIKeyQQNSYOUSWPMCEV-UHFFFAOYSA-N
XLogP1.74
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-cyclopropyl-4-thiophen-2-yl-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-cyclopropyl-4-thiophen-2-yl-4H-imidazol-2-one (CID 79960261) is 5-amino-3-cyclopropyl-4-thiophen-2-yl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-cyclopropyl-4-thiophen-2-yl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-cyclopropyl-4-thiophen-2-yl-4H-imidazol-2-one is NC1=NC(=O)N(C2CC2)C1c1cccs1.
What is the InChIKey of 5-amino-3-cyclopropyl-4-thiophen-2-yl-4H-imidazol-2-one?
The InChIKey is QQNSYOUSWPMCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c11-9-8(7-2-1-5-15-7)13(6-3-4-6)10(14)12-9/h1-2,5-6,8H,3-4H2,(H2,11,12,14).
What are the key properties of 5-amino-3-cyclopropyl-4-thiophen-2-yl-4H-imidazol-2-one?
5-amino-3-cyclopropyl-4-thiophen-2-yl-4H-imidazol-2-one has a molecular weight of 221.28 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-cyclopropyl-4-thiophen-2-yl-4H-imidazol-2-one is sourced from PubChem (CID 79960261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).