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

C12H17N3OS — CID 79960510

IUPAC5-amino-3-(2-methylpropyl)-4-(5-methylthiophen-2-yl)-4H-imidazol-2-one
SMILESCc1ccc(C2C(N)=NC(=O)N2CC(C)C)s1
InChIInChI=1S/C12H17N3OS/c1-7(2)6-15-10(11(13)14-12(15)16)9-5-4-8(3)17-9/h4-5,7,10H,6H2,1-3H3,(H2,13,14,16)
InChIKeyDQRMEVKHERZVAP-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.55
Rot. Bonds3

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

5-amino-3-(2-methylpropyl)-4-(5-methylthiophen-2-yl)-4H-imidazol-2-one (PubChem CID 79960510) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 5-amino-3-(2-methylpropyl)-4-(5-methylthiophen-2-yl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-(2-methylpropyl)-4-(5-methylthiophen-2-yl)-4H-imidazol-2-one
PubChem CID79960510
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name5-amino-3-(2-methylpropyl)-4-(5-methylthiophen-2-yl)-4H-imidazol-2-one
SMILESCc1ccc(C2C(N)=NC(=O)N2CC(C)C)s1
InChIInChI=1S/C12H17N3OS/c1-7(2)6-15-10(11(13)14-12(15)16)9-5-4-8(3)17-9/h4-5,7,10H,6H2,1-3H3,(H2,13,14,16)
InChIKeyDQRMEVKHERZVAP-UHFFFAOYSA-N
XLogP2.55
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-amino-3-(2-methylpropyl)-4-(5-methylthiophen-2-yl)-4H-imidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-Amino-2-(5-methylthiophen-2-yl)ethyl]-4,6-dimethylpyrimidin-2-one
CID 20118002
N-tert-butyl-6-(5-methylthiophen-2-yl)-1,2,3,6-tetrahydropyrazin-5-amine
CID 45378621
N-cyclopentyl-6-(5-methylthiophen-2-yl)-1,2,3,6-tetrahydropyrazin-5-amine
CID 45378623
1-[2-(Dimethylamino)-2-thiophen-2-ylethyl]-3-(3-methylbutyl)urea
CID 47133836
1-[2-(Dimethylamino)-2-thiophen-2-ylethyl]-3-(2-methylpropyl)urea
CID 47133986
1-[2-(Dimethylamino)-2-thiophen-2-ylethyl]-3-(3-methylbutan-2-yl)urea
CID 47140092
1-[2-[1-(5-Methylthiophen-2-yl)ethylamino]ethyl]imidazolidin-2-one
CID 54953190
1-[2-(1-Thiophen-2-ylpropylamino)ethyl]imidazolidin-2-one
CID 54964422
4,6-Dimethyl-1-[2-[(5-methylthiophen-2-yl)methylamino]ethyl]pyrimidin-2-one
CID 62562759
1-(2-Methylpropyl)-3-[1-(5-methylthiophen-2-yl)ethylamino]pyrazin-2-one
CID 62940745
2-methyl-N'-[1-(5-methylthiophen-2-yl)ethyl]propanimidamide
CID 63178001
1-Methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-3-[1-(5-methylthiophen-2-yl)ethyl]urea
CID 72022842

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(2-methylpropyl)-4-(5-methylthiophen-2-yl)-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-(2-methylpropyl)-4-(5-methylthiophen-2-yl)-4H-imidazol-2-one (CID 79960510) is 5-amino-3-(2-methylpropyl)-4-(5-methylthiophen-2-yl)-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-(2-methylpropyl)-4-(5-methylthiophen-2-yl)-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-(2-methylpropyl)-4-(5-methylthiophen-2-yl)-4H-imidazol-2-one is Cc1ccc(C2C(N)=NC(=O)N2CC(C)C)s1.
What is the InChIKey of 5-amino-3-(2-methylpropyl)-4-(5-methylthiophen-2-yl)-4H-imidazol-2-one?
The InChIKey is DQRMEVKHERZVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-7(2)6-15-10(11(13)14-12(15)16)9-5-4-8(3)17-9/h4-5,7,10H,6H2,1-3H3,(H2,13,14,16).
What are the key properties of 5-amino-3-(2-methylpropyl)-4-(5-methylthiophen-2-yl)-4H-imidazol-2-one?
5-amino-3-(2-methylpropyl)-4-(5-methylthiophen-2-yl)-4H-imidazol-2-one has a molecular weight of 251.35 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(2-methylpropyl)-4-(5-methylthiophen-2-yl)-4H-imidazol-2-one is sourced from PubChem (CID 79960510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).