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

C11H15N3OS — CID 79959676

IUPAC5-amino-4-(3-methylthiophen-2-yl)-3-propyl-4H-imidazol-2-one
SMILESCCCN1C(=O)N=C(N)C1c1sccc1C
InChIInChI=1S/C11H15N3OS/c1-3-5-14-8(10(12)13-11(14)15)9-7(2)4-6-16-9/h4,6,8H,3,5H2,1-2H3,(H2,12,13,15)
InChIKeyMCAOQDCWUUHFMH-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.30
Rot. Bonds3

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

5-amino-4-(3-methylthiophen-2-yl)-3-propyl-4H-imidazol-2-one (PubChem CID 79959676) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 5-amino-4-(3-methylthiophen-2-yl)-3-propyl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(3-methylthiophen-2-yl)-3-propyl-4H-imidazol-2-one
PubChem CID79959676
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name5-amino-4-(3-methylthiophen-2-yl)-3-propyl-4H-imidazol-2-one
SMILESCCCN1C(=O)N=C(N)C1c1sccc1C
InChIInChI=1S/C11H15N3OS/c1-3-5-14-8(10(12)13-11(14)15)9-7(2)4-6-16-9/h4,6,8H,3,5H2,1-2H3,(H2,12,13,15)
InChIKeyMCAOQDCWUUHFMH-UHFFFAOYSA-N
XLogP2.30
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-methylthiophen-2-yl)-3-propyl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(3-methylthiophen-2-yl)-3-propyl-4H-imidazol-2-one (CID 79959676) is 5-amino-4-(3-methylthiophen-2-yl)-3-propyl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(3-methylthiophen-2-yl)-3-propyl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(3-methylthiophen-2-yl)-3-propyl-4H-imidazol-2-one is CCCN1C(=O)N=C(N)C1c1sccc1C.
What is the InChIKey of 5-amino-4-(3-methylthiophen-2-yl)-3-propyl-4H-imidazol-2-one?
The InChIKey is MCAOQDCWUUHFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-3-5-14-8(10(12)13-11(14)15)9-7(2)4-6-16-9/h4,6,8H,3,5H2,1-2H3,(H2,12,13,15).
What are the key properties of 5-amino-4-(3-methylthiophen-2-yl)-3-propyl-4H-imidazol-2-one?
5-amino-4-(3-methylthiophen-2-yl)-3-propyl-4H-imidazol-2-one has a molecular weight of 237.33 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3-methylthiophen-2-yl)-3-propyl-4H-imidazol-2-one is sourced from PubChem (CID 79959676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).