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

C11H14BrN3OS — CID 79959903

IUPAC5-amino-4-(4-bromothiophen-2-yl)-3-(2-methylpropyl)-4H-imidazol-2-one
SMILESCC(C)CN1C(=O)N=C(N)C1c1cc(Br)cs1
InChIInChI=1S/C11H14BrN3OS/c1-6(2)4-15-9(10(13)14-11(15)16)8-3-7(12)5-17-8/h3,5-6,9H,4H2,1-2H3,(H2,13,14,16)
InChIKeyPPCGMYSUOXKVMP-UHFFFAOYSA-N
MW316.22 g/mol
LogP3.00
Rot. Bonds3

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

5-amino-4-(4-bromothiophen-2-yl)-3-(2-methylpropyl)-4H-imidazol-2-one (PubChem CID 79959903) has the molecular formula C11H14BrN3OS and a molecular weight of 316.22 g/mol. Its IUPAC name is 5-amino-4-(4-bromothiophen-2-yl)-3-(2-methylpropyl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(4-bromothiophen-2-yl)-3-(2-methylpropyl)-4H-imidazol-2-one
PubChem CID79959903
Molecular FormulaC11H14BrN3OS
Molecular Weight316.22 g/mol
Exact Mass315.00
IUPAC Name5-amino-4-(4-bromothiophen-2-yl)-3-(2-methylpropyl)-4H-imidazol-2-one
SMILESCC(C)CN1C(=O)N=C(N)C1c1cc(Br)cs1
InChIInChI=1S/C11H14BrN3OS/c1-6(2)4-15-9(10(13)14-11(15)16)8-3-7(12)5-17-8/h3,5-6,9H,4H2,1-2H3,(H2,13,14,16)
InChIKeyPPCGMYSUOXKVMP-UHFFFAOYSA-N
XLogP3.00
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.22
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(4-bromothiophen-2-yl)-3-(2-methylpropyl)-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(4-bromothiophen-2-yl)-3-(2-methylpropyl)-4H-imidazol-2-one (CID 79959903) is 5-amino-4-(4-bromothiophen-2-yl)-3-(2-methylpropyl)-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(4-bromothiophen-2-yl)-3-(2-methylpropyl)-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(4-bromothiophen-2-yl)-3-(2-methylpropyl)-4H-imidazol-2-one is CC(C)CN1C(=O)N=C(N)C1c1cc(Br)cs1.
What is the InChIKey of 5-amino-4-(4-bromothiophen-2-yl)-3-(2-methylpropyl)-4H-imidazol-2-one?
The InChIKey is PPCGMYSUOXKVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3OS/c1-6(2)4-15-9(10(13)14-11(15)16)8-3-7(12)5-17-8/h3,5-6,9H,4H2,1-2H3,(H2,13,14,16).
What are the key properties of 5-amino-4-(4-bromothiophen-2-yl)-3-(2-methylpropyl)-4H-imidazol-2-one?
5-amino-4-(4-bromothiophen-2-yl)-3-(2-methylpropyl)-4H-imidazol-2-one has a molecular weight of 316.22 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(4-bromothiophen-2-yl)-3-(2-methylpropyl)-4H-imidazol-2-one is sourced from PubChem (CID 79959903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).