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

C9H11N3OS — CID 79960112

IUPAC5-amino-3-methyl-4-(3-methylthiophen-2-yl)-4H-imidazol-2-one
SMILESCc1ccsc1C1C(N)=NC(=O)N1C
InChIInChI=1S/C9H11N3OS/c1-5-3-4-14-7(5)6-8(10)11-9(13)12(6)2/h3-4,6H,1-2H3,(H2,10,11,13)
InChIKeyOHWMROGASXZXKC-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.52
Rot. Bonds1

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

5-amino-3-methyl-4-(3-methylthiophen-2-yl)-4H-imidazol-2-one (PubChem CID 79960112) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is 5-amino-3-methyl-4-(3-methylthiophen-2-yl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-methyl-4-(3-methylthiophen-2-yl)-4H-imidazol-2-one
PubChem CID79960112
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name5-amino-3-methyl-4-(3-methylthiophen-2-yl)-4H-imidazol-2-one
SMILESCc1ccsc1C1C(N)=NC(=O)N1C
InChIInChI=1S/C9H11N3OS/c1-5-3-4-14-7(5)6-8(10)11-9(13)12(6)2/h3-4,6H,1-2H3,(H2,10,11,13)
InChIKeyOHWMROGASXZXKC-UHFFFAOYSA-N
XLogP1.52
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methyl-4-(3-methylthiophen-2-yl)-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-methyl-4-(3-methylthiophen-2-yl)-4H-imidazol-2-one (CID 79960112) is 5-amino-3-methyl-4-(3-methylthiophen-2-yl)-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-methyl-4-(3-methylthiophen-2-yl)-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-methyl-4-(3-methylthiophen-2-yl)-4H-imidazol-2-one is Cc1ccsc1C1C(N)=NC(=O)N1C.
What is the InChIKey of 5-amino-3-methyl-4-(3-methylthiophen-2-yl)-4H-imidazol-2-one?
The InChIKey is OHWMROGASXZXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-5-3-4-14-7(5)6-8(10)11-9(13)12(6)2/h3-4,6H,1-2H3,(H2,10,11,13).
What are the key properties of 5-amino-3-methyl-4-(3-methylthiophen-2-yl)-4H-imidazol-2-one?
5-amino-3-methyl-4-(3-methylthiophen-2-yl)-4H-imidazol-2-one has a molecular weight of 209.27 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methyl-4-(3-methylthiophen-2-yl)-4H-imidazol-2-one is sourced from PubChem (CID 79960112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).