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

C10H12BrN3OS — CID 79959888

IUPAC5-amino-4-(4-bromothiophen-2-yl)-3-propyl-4H-imidazol-2-one
SMILESCCCN1C(=O)N=C(N)C1c1cc(Br)cs1
InChIInChI=1S/C10H12BrN3OS/c1-2-3-14-8(9(12)13-10(14)15)7-4-6(11)5-16-7/h4-5,8H,2-3H2,1H3,(H2,12,13,15)
InChIKeyYWNIYYQGAZTYNC-UHFFFAOYSA-N
MW302.20 g/mol
LogP2.75
Rot. Bonds3

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

5-amino-4-(4-bromothiophen-2-yl)-3-propyl-4H-imidazol-2-one (PubChem CID 79959888) has the molecular formula C10H12BrN3OS and a molecular weight of 302.20 g/mol. Its IUPAC name is 5-amino-4-(4-bromothiophen-2-yl)-3-propyl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(4-bromothiophen-2-yl)-3-propyl-4H-imidazol-2-one
PubChem CID79959888
Molecular FormulaC10H12BrN3OS
Molecular Weight302.20 g/mol
Exact Mass300.99
IUPAC Name5-amino-4-(4-bromothiophen-2-yl)-3-propyl-4H-imidazol-2-one
SMILESCCCN1C(=O)N=C(N)C1c1cc(Br)cs1
InChIInChI=1S/C10H12BrN3OS/c1-2-3-14-8(9(12)13-10(14)15)7-4-6(11)5-16-7/h4-5,8H,2-3H2,1H3,(H2,12,13,15)
InChIKeyYWNIYYQGAZTYNC-UHFFFAOYSA-N
XLogP2.75
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 52.75
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-propyl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(4-bromothiophen-2-yl)-3-propyl-4H-imidazol-2-one (CID 79959888) is 5-amino-4-(4-bromothiophen-2-yl)-3-propyl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(4-bromothiophen-2-yl)-3-propyl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(4-bromothiophen-2-yl)-3-propyl-4H-imidazol-2-one is CCCN1C(=O)N=C(N)C1c1cc(Br)cs1.
What is the InChIKey of 5-amino-4-(4-bromothiophen-2-yl)-3-propyl-4H-imidazol-2-one?
The InChIKey is YWNIYYQGAZTYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3OS/c1-2-3-14-8(9(12)13-10(14)15)7-4-6(11)5-16-7/h4-5,8H,2-3H2,1H3,(H2,12,13,15).
What are the key properties of 5-amino-4-(4-bromothiophen-2-yl)-3-propyl-4H-imidazol-2-one?
5-amino-4-(4-bromothiophen-2-yl)-3-propyl-4H-imidazol-2-one has a molecular weight of 302.20 g/mol, XLogP of 2.75, 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-propyl-4H-imidazol-2-one is sourced from PubChem (CID 79959888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).