2-amino-4-(5-tert-butylthiophen-2-yl)-1,4-dihydroimidazol-5-one

C11H15N3OS — CID 82997357

IUPAC2-amino-4-(5-tert-butylthiophen-2-yl)-1,4-dihydroimidazol-5-one
SMILESCC(C)(C)c1ccc(C2N=C(N)NC2=O)s1
InChIInChI=1S/C11H15N3OS/c1-11(2,3)7-5-4-6(16-7)8-9(15)14-10(12)13-8/h4-5,8H,1-3H3,(H3,12,13,14,15)
InChIKeyXVWNCPZASHHXMH-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.53
Rot. Bonds1

About 2-amino-4-(5-tert-butylthiophen-2-yl)-1,4-dihydroimidazol-5-one

2-amino-4-(5-tert-butylthiophen-2-yl)-1,4-dihydroimidazol-5-one (PubChem CID 82997357) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 2-amino-4-(5-tert-butylthiophen-2-yl)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-amino-4-(5-tert-butylthiophen-2-yl)-1,4-dihydroimidazol-5-one
PubChem CID82997357
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name2-amino-4-(5-tert-butylthiophen-2-yl)-1,4-dihydroimidazol-5-one
SMILESCC(C)(C)c1ccc(C2N=C(N)NC2=O)s1
InChIInChI=1S/C11H15N3OS/c1-11(2,3)7-5-4-6(16-7)8-9(15)14-10(12)13-8/h4-5,8H,1-3H3,(H3,12,13,14,15)
InChIKeyXVWNCPZASHHXMH-UHFFFAOYSA-N
XLogP1.53
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5-tert-butylthiophen-2-yl)-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-amino-4-(5-tert-butylthiophen-2-yl)-1,4-dihydroimidazol-5-one (CID 82997357) is 2-amino-4-(5-tert-butylthiophen-2-yl)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-amino-4-(5-tert-butylthiophen-2-yl)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-amino-4-(5-tert-butylthiophen-2-yl)-1,4-dihydroimidazol-5-one is CC(C)(C)c1ccc(C2N=C(N)NC2=O)s1.
What is the InChIKey of 2-amino-4-(5-tert-butylthiophen-2-yl)-1,4-dihydroimidazol-5-one?
The InChIKey is XVWNCPZASHHXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-11(2,3)7-5-4-6(16-7)8-9(15)14-10(12)13-8/h4-5,8H,1-3H3,(H3,12,13,14,15).
What are the key properties of 2-amino-4-(5-tert-butylthiophen-2-yl)-1,4-dihydroimidazol-5-one?
2-amino-4-(5-tert-butylthiophen-2-yl)-1,4-dihydroimidazol-5-one has a molecular weight of 237.33 g/mol, XLogP of 1.53, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(5-tert-butylthiophen-2-yl)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 82997357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).