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

C10H11Br2N3OS — CID 102845835

IUPAC5-amino-4-(4,5-dibromothiophen-2-yl)-3-propyl-4H-imidazol-2-one
SMILESCCCN1C(=O)N=C(N)C1c1cc(Br)c(Br)s1
InChIInChI=1S/C10H11Br2N3OS/c1-2-3-15-7(9(13)14-10(15)16)6-4-5(11)8(12)17-6/h4,7H,2-3H2,1H3,(H2,13,14,16)
InChIKeyFCKQVBKAWXGHFC-UHFFFAOYSA-N
MW381.09 g/mol
LogP3.52
Rot. Bonds3

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

5-amino-4-(4,5-dibromothiophen-2-yl)-3-propyl-4H-imidazol-2-one (PubChem CID 102845835) has the molecular formula C10H11Br2N3OS and a molecular weight of 381.09 g/mol. Its IUPAC name is 5-amino-4-(4,5-dibromothiophen-2-yl)-3-propyl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(4,5-dibromothiophen-2-yl)-3-propyl-4H-imidazol-2-one
PubChem CID102845835
Molecular FormulaC10H11Br2N3OS
Molecular Weight381.09 g/mol
Exact Mass378.90
IUPAC Name5-amino-4-(4,5-dibromothiophen-2-yl)-3-propyl-4H-imidazol-2-one
SMILESCCCN1C(=O)N=C(N)C1c1cc(Br)c(Br)s1
InChIInChI=1S/C10H11Br2N3OS/c1-2-3-15-7(9(13)14-10(15)16)6-4-5(11)8(12)17-6/h4,7H,2-3H2,1H3,(H2,13,14,16)
InChIKeyFCKQVBKAWXGHFC-UHFFFAOYSA-N
XLogP3.52
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.09
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(4,5-dibromothiophen-2-yl)-3-propyl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(4,5-dibromothiophen-2-yl)-3-propyl-4H-imidazol-2-one (CID 102845835) is 5-amino-4-(4,5-dibromothiophen-2-yl)-3-propyl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(4,5-dibromothiophen-2-yl)-3-propyl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(4,5-dibromothiophen-2-yl)-3-propyl-4H-imidazol-2-one is CCCN1C(=O)N=C(N)C1c1cc(Br)c(Br)s1.
What is the InChIKey of 5-amino-4-(4,5-dibromothiophen-2-yl)-3-propyl-4H-imidazol-2-one?
The InChIKey is FCKQVBKAWXGHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2N3OS/c1-2-3-15-7(9(13)14-10(15)16)6-4-5(11)8(12)17-6/h4,7H,2-3H2,1H3,(H2,13,14,16).
What are the key properties of 5-amino-4-(4,5-dibromothiophen-2-yl)-3-propyl-4H-imidazol-2-one?
5-amino-4-(4,5-dibromothiophen-2-yl)-3-propyl-4H-imidazol-2-one has a molecular weight of 381.09 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(4,5-dibromothiophen-2-yl)-3-propyl-4H-imidazol-2-one is sourced from PubChem (CID 102845835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).