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

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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).