5-amino-3-cyclopropyl-4-(5-ethylthiophen-2-yl)-4H-imidazol-2-one

C12H15N3OS — CID 79960065

IUPAC5-amino-3-cyclopropyl-4-(5-ethylthiophen-2-yl)-4H-imidazol-2-one
SMILESCCc1ccc(C2C(N)=NC(=O)N2C2CC2)s1
InChIInChI=1S/C12H15N3OS/c1-2-8-5-6-9(17-8)10-11(13)14-12(16)15(10)7-3-4-7/h5-7,10H,2-4H2,1H3,(H2,13,14,16)
InChIKeyQPKIVJPMIOPMHS-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.31
Rot. Bonds3

About 5-amino-3-cyclopropyl-4-(5-ethylthiophen-2-yl)-4H-imidazol-2-one

5-amino-3-cyclopropyl-4-(5-ethylthiophen-2-yl)-4H-imidazol-2-one (PubChem CID 79960065) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 5-amino-3-cyclopropyl-4-(5-ethylthiophen-2-yl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-cyclopropyl-4-(5-ethylthiophen-2-yl)-4H-imidazol-2-one
PubChem CID79960065
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name5-amino-3-cyclopropyl-4-(5-ethylthiophen-2-yl)-4H-imidazol-2-one
SMILESCCc1ccc(C2C(N)=NC(=O)N2C2CC2)s1
InChIInChI=1S/C12H15N3OS/c1-2-8-5-6-9(17-8)10-11(13)14-12(16)15(10)7-3-4-7/h5-7,10H,2-4H2,1H3,(H2,13,14,16)
InChIKeyQPKIVJPMIOPMHS-UHFFFAOYSA-N
XLogP2.31
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.31
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-(5-ethylthiophen-2-yl)-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-cyclopropyl-4-(5-ethylthiophen-2-yl)-4H-imidazol-2-one (CID 79960065) is 5-amino-3-cyclopropyl-4-(5-ethylthiophen-2-yl)-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-cyclopropyl-4-(5-ethylthiophen-2-yl)-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-cyclopropyl-4-(5-ethylthiophen-2-yl)-4H-imidazol-2-one is CCc1ccc(C2C(N)=NC(=O)N2C2CC2)s1.
What is the InChIKey of 5-amino-3-cyclopropyl-4-(5-ethylthiophen-2-yl)-4H-imidazol-2-one?
The InChIKey is QPKIVJPMIOPMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-2-8-5-6-9(17-8)10-11(13)14-12(16)15(10)7-3-4-7/h5-7,10H,2-4H2,1H3,(H2,13,14,16).
What are the key properties of 5-amino-3-cyclopropyl-4-(5-ethylthiophen-2-yl)-4H-imidazol-2-one?
5-amino-3-cyclopropyl-4-(5-ethylthiophen-2-yl)-4H-imidazol-2-one has a molecular weight of 249.34 g/mol, XLogP of 2.31, 3 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-(5-ethylthiophen-2-yl)-4H-imidazol-2-one is sourced from PubChem (CID 79960065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).