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

C10H10BrN3OS — CID 79961202

IUPAC5-amino-4-(5-bromothiophen-2-yl)-3-cyclopropyl-4H-imidazol-2-one
SMILESNC1=NC(=O)N(C2CC2)C1c1ccc(Br)s1
InChIInChI=1S/C10H10BrN3OS/c11-7-4-3-6(16-7)8-9(12)13-10(15)14(8)5-1-2-5/h3-5,8H,1-2H2,(H2,12,13,15)
InChIKeyLOFDWGUBAYECDK-UHFFFAOYSA-N
MW300.18 g/mol
LogP2.51
Rot. Bonds2

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

5-amino-4-(5-bromothiophen-2-yl)-3-cyclopropyl-4H-imidazol-2-one (PubChem CID 79961202) has the molecular formula C10H10BrN3OS and a molecular weight of 300.18 g/mol. Its IUPAC name is 5-amino-4-(5-bromothiophen-2-yl)-3-cyclopropyl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(5-bromothiophen-2-yl)-3-cyclopropyl-4H-imidazol-2-one
PubChem CID79961202
Molecular FormulaC10H10BrN3OS
Molecular Weight300.18 g/mol
Exact Mass298.97
IUPAC Name5-amino-4-(5-bromothiophen-2-yl)-3-cyclopropyl-4H-imidazol-2-one
SMILESNC1=NC(=O)N(C2CC2)C1c1ccc(Br)s1
InChIInChI=1S/C10H10BrN3OS/c11-7-4-3-6(16-7)8-9(12)13-10(15)14(8)5-1-2-5/h3-5,8H,1-2H2,(H2,12,13,15)
InChIKeyLOFDWGUBAYECDK-UHFFFAOYSA-N
XLogP2.51
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(5-bromothiophen-2-yl)-3-cyclopropyl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(5-bromothiophen-2-yl)-3-cyclopropyl-4H-imidazol-2-one (CID 79961202) is 5-amino-4-(5-bromothiophen-2-yl)-3-cyclopropyl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(5-bromothiophen-2-yl)-3-cyclopropyl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(5-bromothiophen-2-yl)-3-cyclopropyl-4H-imidazol-2-one is NC1=NC(=O)N(C2CC2)C1c1ccc(Br)s1.
What is the InChIKey of 5-amino-4-(5-bromothiophen-2-yl)-3-cyclopropyl-4H-imidazol-2-one?
The InChIKey is LOFDWGUBAYECDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3OS/c11-7-4-3-6(16-7)8-9(12)13-10(15)14(8)5-1-2-5/h3-5,8H,1-2H2,(H2,12,13,15).
What are the key properties of 5-amino-4-(5-bromothiophen-2-yl)-3-cyclopropyl-4H-imidazol-2-one?
5-amino-4-(5-bromothiophen-2-yl)-3-cyclopropyl-4H-imidazol-2-one has a molecular weight of 300.18 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(5-bromothiophen-2-yl)-3-cyclopropyl-4H-imidazol-2-one is sourced from PubChem (CID 79961202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).