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

C11H13N3OS — CID 79959453

IUPAC5-amino-3-cyclopropyl-4-(5-methylthiophen-2-yl)-4H-imidazol-2-one
SMILESCc1ccc(C2C(N)=NC(=O)N2C2CC2)s1
InChIInChI=1S/C11H13N3OS/c1-6-2-5-8(16-6)9-10(12)13-11(15)14(9)7-3-4-7/h2,5,7,9H,3-4H2,1H3,(H2,12,13,15)
InChIKeyJCIGAVHMNAZIDS-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.05
Rot. Bonds2

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

5-amino-3-cyclopropyl-4-(5-methylthiophen-2-yl)-4H-imidazol-2-one (PubChem CID 79959453) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 5-amino-3-cyclopropyl-4-(5-methylthiophen-2-yl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-cyclopropyl-4-(5-methylthiophen-2-yl)-4H-imidazol-2-one
PubChem CID79959453
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name5-amino-3-cyclopropyl-4-(5-methylthiophen-2-yl)-4H-imidazol-2-one
SMILESCc1ccc(C2C(N)=NC(=O)N2C2CC2)s1
InChIInChI=1S/C11H13N3OS/c1-6-2-5-8(16-6)9-10(12)13-11(15)14(9)7-3-4-7/h2,5,7,9H,3-4H2,1H3,(H2,12,13,15)
InChIKeyJCIGAVHMNAZIDS-UHFFFAOYSA-N
XLogP2.05
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.05
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-methylthiophen-2-yl)-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-cyclopropyl-4-(5-methylthiophen-2-yl)-4H-imidazol-2-one (CID 79959453) is 5-amino-3-cyclopropyl-4-(5-methylthiophen-2-yl)-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-cyclopropyl-4-(5-methylthiophen-2-yl)-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-cyclopropyl-4-(5-methylthiophen-2-yl)-4H-imidazol-2-one is Cc1ccc(C2C(N)=NC(=O)N2C2CC2)s1.
What is the InChIKey of 5-amino-3-cyclopropyl-4-(5-methylthiophen-2-yl)-4H-imidazol-2-one?
The InChIKey is JCIGAVHMNAZIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-6-2-5-8(16-6)9-10(12)13-11(15)14(9)7-3-4-7/h2,5,7,9H,3-4H2,1H3,(H2,12,13,15).
What are the key properties of 5-amino-3-cyclopropyl-4-(5-methylthiophen-2-yl)-4H-imidazol-2-one?
5-amino-3-cyclopropyl-4-(5-methylthiophen-2-yl)-4H-imidazol-2-one has a molecular weight of 235.31 g/mol, XLogP of 2.05, 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-(5-methylthiophen-2-yl)-4H-imidazol-2-one is sourced from PubChem (CID 79959453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).