2-amino-5-(3-bromophenyl)-3-methyl-5-(5-methylthiophen-3-yl)imidazol-4-one

C15H14BrN3OS — CID 143389257

IUPAC2-amino-5-(3-bromophenyl)-3-methyl-5-(5-methylthiophen-3-yl)imidazol-4-one
SMILESCc1cc(C2(c3cccc(Br)c3)N=C(N)N(C)C2=O)cs1
InChIInChI=1S/C15H14BrN3OS/c1-9-6-11(8-21-9)15(10-4-3-5-12(16)7-10)13(20)19(2)14(17)18-15/h3-8H,1-2H3,(H2,17,18)
InChIKeyYJWIIMIGKDQKSB-UHFFFAOYSA-N
MW364.27 g/mol
LogP2.85
Rot. Bonds2

About 2-amino-5-(3-bromophenyl)-3-methyl-5-(5-methylthiophen-3-yl)imidazol-4-one

2-amino-5-(3-bromophenyl)-3-methyl-5-(5-methylthiophen-3-yl)imidazol-4-one (PubChem CID 143389257) has the molecular formula C15H14BrN3OS and a molecular weight of 364.27 g/mol. Its IUPAC name is 2-amino-5-(3-bromophenyl)-3-methyl-5-(5-methylthiophen-3-yl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(3-bromophenyl)-3-methyl-5-(5-methylthiophen-3-yl)imidazol-4-one
PubChem CID143389257
Molecular FormulaC15H14BrN3OS
Molecular Weight364.27 g/mol
Exact Mass363.00
IUPAC Name2-amino-5-(3-bromophenyl)-3-methyl-5-(5-methylthiophen-3-yl)imidazol-4-one
SMILESCc1cc(C2(c3cccc(Br)c3)N=C(N)N(C)C2=O)cs1
InChIInChI=1S/C15H14BrN3OS/c1-9-6-11(8-21-9)15(10-4-3-5-12(16)7-10)13(20)19(2)14(17)18-15/h3-8H,1-2H3,(H2,17,18)
InChIKeyYJWIIMIGKDQKSB-UHFFFAOYSA-N
XLogP2.85
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.27
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-(3-bromophenyl)-5-(4-methoxyphenyl)-3-methylimidazol-4-one
CID 25063366
[3-[2-amino-4-(3-bromophenyl)-1-methyl-5-oxoimidazol-4-yl]phenyl]methanesulfonic acid
CID 90849888
2-amino-5-(3-bromophenyl)-3-methyl-5-(5-propanoyl-1H-pyrrol-3-yl)imidazol-4-one
CID 59772698
2-amino-5-[3-(aminomethyl)phenyl]-5-(3-bromophenyl)-3-methylimidazol-4-one;2,2,2-trifluoroacetic acid
CID 174572032
4-[2-amino-4-(3-bromophenyl)-1-methyl-5-oxoimidazol-4-yl]-1-propylpyrrole-2-carbonitrile
CID 15949463
methyl 4-[2-amino-4-(3-bromophenyl)-1-methyl-5-oxoimidazol-4-yl]-1-(2-fluoroethyl)pyrrole-2-carboxylate
CID 59772738
(5S)-2-amino-5-(3-bromophenyl)-5-cyclopropyl-3-methylimidazol-4-one
CID 70136463
2-amino-6-(3-bromophenyl)-3,6-dimethyl-5H-pyrimidin-4-one
CID 23731035
2-amino-5-(3-methoxyphenyl)-3-methyl-5-thiophen-2-ylimidazol-4-one
CID 59772728
2-amino-5-(4-hydroxyphenyl)-3-methyl-5-phenylimidazol-4-one
CID 70867323
2-amino-5-(3,5-difluorophenyl)-3-methyl-5-phenylimidazol-4-one;methane
CID 158519344
2-amino-5-[3-[3-bromo-5-(trifluoromethoxy)phenyl]phenyl]-3-methyl-5-phenylimidazol-4-one
CID 59388140

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-bromophenyl)-3-methyl-5-(5-methylthiophen-3-yl)imidazol-4-one?
The IUPAC name of 2-amino-5-(3-bromophenyl)-3-methyl-5-(5-methylthiophen-3-yl)imidazol-4-one (CID 143389257) is 2-amino-5-(3-bromophenyl)-3-methyl-5-(5-methylthiophen-3-yl)imidazol-4-one.
What is the SMILES notation for 2-amino-5-(3-bromophenyl)-3-methyl-5-(5-methylthiophen-3-yl)imidazol-4-one?
The canonical SMILES for 2-amino-5-(3-bromophenyl)-3-methyl-5-(5-methylthiophen-3-yl)imidazol-4-one is Cc1cc(C2(c3cccc(Br)c3)N=C(N)N(C)C2=O)cs1.
What is the InChIKey of 2-amino-5-(3-bromophenyl)-3-methyl-5-(5-methylthiophen-3-yl)imidazol-4-one?
The InChIKey is YJWIIMIGKDQKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3OS/c1-9-6-11(8-21-9)15(10-4-3-5-12(16)7-10)13(20)19(2)14(17)18-15/h3-8H,1-2H3,(H2,17,18).
What are the key properties of 2-amino-5-(3-bromophenyl)-3-methyl-5-(5-methylthiophen-3-yl)imidazol-4-one?
2-amino-5-(3-bromophenyl)-3-methyl-5-(5-methylthiophen-3-yl)imidazol-4-one has a molecular weight of 364.27 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-bromophenyl)-3-methyl-5-(5-methylthiophen-3-yl)imidazol-4-one is sourced from PubChem (CID 143389257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).