(5Z)-2-amino-5-[(5-bromothiophen-2-yl)methylidene]-1-methylimidazol-4-one

C9H8BrN3OS — CID 19577206

IUPAC(5Z)-2-amino-5-[(5-bromothiophen-2-yl)methylidene]-1-methylimidazol-4-one
SMILESCN1C(N)=NC(=O)/C1=C/c1ccc(Br)s1
InChIInChI=1S/C9H8BrN3OS/c1-13-6(8(14)12-9(13)11)4-5-2-3-7(10)15-5/h2-4H,1H3,(H2,11,12,14)/b6-4-
InChIKeyPFVPEVOTVCWDCE-XQRVVYSFSA-N
MW286.15 g/mol
LogP1.64
Rot. Bonds1

About (5Z)-2-amino-5-[(5-bromothiophen-2-yl)methylidene]-1-methylimidazol-4-one

(5Z)-2-amino-5-[(5-bromothiophen-2-yl)methylidene]-1-methylimidazol-4-one (PubChem CID 19577206) has the molecular formula C9H8BrN3OS and a molecular weight of 286.15 g/mol. Its IUPAC name is (5Z)-2-amino-5-[(5-bromothiophen-2-yl)methylidene]-1-methylimidazol-4-one.

Molecular Properties

Compound Name(5Z)-2-amino-5-[(5-bromothiophen-2-yl)methylidene]-1-methylimidazol-4-one
PubChem CID19577206
Molecular FormulaC9H8BrN3OS
Molecular Weight286.15 g/mol
Exact Mass284.96
IUPAC Name(5Z)-2-amino-5-[(5-bromothiophen-2-yl)methylidene]-1-methylimidazol-4-one
SMILESCN1C(N)=NC(=O)/C1=C/c1ccc(Br)s1
InChIInChI=1S/C9H8BrN3OS/c1-13-6(8(14)12-9(13)11)4-5-2-3-7(10)15-5/h2-4H,1H3,(H2,11,12,14)/b6-4-
InChIKeyPFVPEVOTVCWDCE-XQRVVYSFSA-N
XLogP1.64
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.15
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-Imino-1-methyl-5-[(5-methyl-2-thienyl)methylene]-4-imidazolidinone
CID 885627
N-[(5E)-1-methyl-4-oxo-5-(thiophen-2-ylmethylidene)imidazol-2-yl]acetamide
CID 5716781
N-[1-methyl-4-oxo-5-(thiophen-2-ylmethylidene)imidazol-2-yl]acetamide
CID 2826150
CID 154735528
CID 154735528
CID 145924198
CID 145924198
(5Z)-2-imino-1-methyl-5-[(3-methylthiophen-2-yl)methylidene]imidazolidin-4-one
CID 750610
N-[(5Z)-1-methyl-4-oxo-5-(2-thiophen-2-ylethylidene)imidazol-2-yl]acetamide
CID 6385561
(5E)-2-amino-1-methyl-5-(thiophen-2-ylmethylidene)imidazol-4-one
CID 15210892
(4Z)-2-amino-4-[(5-methylthiophen-2-yl)methylidene]-1H-imidazol-5-one
CID 136693777
N-[1-methyl-4-oxo-5-(2-thiophen-2-ylethylidene)imidazol-2-yl]acetamide
CID 312097
(5E)-2-amino-1-methyl-5-[(3-methylthiophen-2-yl)methylidene]imidazol-4-one
CID 750608
(5E)-2-amino-1-methyl-5-[(5-methylthiophen-2-yl)methylidene]imidazol-4-one
CID 885626

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-amino-5-[(5-bromothiophen-2-yl)methylidene]-1-methylimidazol-4-one?
The IUPAC name of (5Z)-2-amino-5-[(5-bromothiophen-2-yl)methylidene]-1-methylimidazol-4-one (CID 19577206) is (5Z)-2-amino-5-[(5-bromothiophen-2-yl)methylidene]-1-methylimidazol-4-one.
What is the SMILES notation for (5Z)-2-amino-5-[(5-bromothiophen-2-yl)methylidene]-1-methylimidazol-4-one?
The canonical SMILES for (5Z)-2-amino-5-[(5-bromothiophen-2-yl)methylidene]-1-methylimidazol-4-one is CN1C(N)=NC(=O)/C1=C/c1ccc(Br)s1.
What is the InChIKey of (5Z)-2-amino-5-[(5-bromothiophen-2-yl)methylidene]-1-methylimidazol-4-one?
The InChIKey is PFVPEVOTVCWDCE-XQRVVYSFSA-N. The full InChI is InChI=1S/C9H8BrN3OS/c1-13-6(8(14)12-9(13)11)4-5-2-3-7(10)15-5/h2-4H,1H3,(H2,11,12,14)/b6-4-.
What are the key properties of (5Z)-2-amino-5-[(5-bromothiophen-2-yl)methylidene]-1-methylimidazol-4-one?
(5Z)-2-amino-5-[(5-bromothiophen-2-yl)methylidene]-1-methylimidazol-4-one has a molecular weight of 286.15 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-amino-5-[(5-bromothiophen-2-yl)methylidene]-1-methylimidazol-4-one is sourced from PubChem (CID 19577206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).