5-amino-4-(2,5-dimethylthiophen-3-yl)-3-methyl-4H-imidazol-2-one

C10H13N3OS — CID 79959267

IUPAC5-amino-4-(2,5-dimethylthiophen-3-yl)-3-methyl-4H-imidazol-2-one
SMILESCc1cc(C2C(N)=NC(=O)N2C)c(C)s1
InChIInChI=1S/C10H13N3OS/c1-5-4-7(6(2)15-5)8-9(11)12-10(14)13(8)3/h4,8H,1-3H3,(H2,11,12,14)
InChIKeySVNYXJOIDPIMJF-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.83
Rot. Bonds1

About 5-amino-4-(2,5-dimethylthiophen-3-yl)-3-methyl-4H-imidazol-2-one

5-amino-4-(2,5-dimethylthiophen-3-yl)-3-methyl-4H-imidazol-2-one (PubChem CID 79959267) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 5-amino-4-(2,5-dimethylthiophen-3-yl)-3-methyl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(2,5-dimethylthiophen-3-yl)-3-methyl-4H-imidazol-2-one
PubChem CID79959267
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name5-amino-4-(2,5-dimethylthiophen-3-yl)-3-methyl-4H-imidazol-2-one
SMILESCc1cc(C2C(N)=NC(=O)N2C)c(C)s1
InChIInChI=1S/C10H13N3OS/c1-5-4-7(6(2)15-5)8-9(11)12-10(14)13(8)3/h4,8H,1-3H3,(H2,11,12,14)
InChIKeySVNYXJOIDPIMJF-UHFFFAOYSA-N
XLogP1.83
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2,5-dimethylthiophen-3-yl)-3-methyl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(2,5-dimethylthiophen-3-yl)-3-methyl-4H-imidazol-2-one (CID 79959267) is 5-amino-4-(2,5-dimethylthiophen-3-yl)-3-methyl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(2,5-dimethylthiophen-3-yl)-3-methyl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(2,5-dimethylthiophen-3-yl)-3-methyl-4H-imidazol-2-one is Cc1cc(C2C(N)=NC(=O)N2C)c(C)s1.
What is the InChIKey of 5-amino-4-(2,5-dimethylthiophen-3-yl)-3-methyl-4H-imidazol-2-one?
The InChIKey is SVNYXJOIDPIMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-5-4-7(6(2)15-5)8-9(11)12-10(14)13(8)3/h4,8H,1-3H3,(H2,11,12,14).
What are the key properties of 5-amino-4-(2,5-dimethylthiophen-3-yl)-3-methyl-4H-imidazol-2-one?
5-amino-4-(2,5-dimethylthiophen-3-yl)-3-methyl-4H-imidazol-2-one has a molecular weight of 223.30 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2,5-dimethylthiophen-3-yl)-3-methyl-4H-imidazol-2-one is sourced from PubChem (CID 79959267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).