2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(4-bromophenyl)acetamide

C18H17BrN6O2 — CID 17228829

IUPAC2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(4-bromophenyl)acetamide
SMILESN/C(=N\C1=NC(CC(=O)Nc2ccc(Br)cc2)C(=O)N1)Nc1ccccc1
InChIInChI=1S/C18H17BrN6O2/c19-11-6-8-13(9-7-11)21-15(26)10-14-16(27)24-18(23-14)25-17(20)22-12-4-2-1-3-5-12/h1-9,14H,10H2,(H,21,26)(H4,20,22,23,24,25,27)
InChIKeyFJRZUMMARGGAME-UHFFFAOYSA-N
MW429.28 g/mol
LogP2.06
Rot. Bonds4

About 2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(4-bromophenyl)acetamide

2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(4-bromophenyl)acetamide (PubChem CID 17228829) has the molecular formula C18H17BrN6O2 and a molecular weight of 429.28 g/mol. Its IUPAC name is 2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(4-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(4-bromophenyl)acetamide
PubChem CID17228829
Molecular FormulaC18H17BrN6O2
Molecular Weight429.28 g/mol
Exact Mass428.06
IUPAC Name2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(4-bromophenyl)acetamide
SMILESN/C(=N\C1=NC(CC(=O)Nc2ccc(Br)cc2)C(=O)N1)Nc1ccccc1
InChIInChI=1S/C18H17BrN6O2/c19-11-6-8-13(9-7-11)21-15(26)10-14-16(27)24-18(23-14)25-17(20)22-12-4-2-1-3-5-12/h1-9,14H,10H2,(H,21,26)(H4,20,22,23,24,25,27)
InChIKeyFJRZUMMARGGAME-UHFFFAOYSA-N
XLogP2.06
TPSA120.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.28
LogP ≤ 52.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(4-ethylphenyl)acetamide
CID 17228827
2-[(4R)-2-[[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(4-nitrophenyl)acetamide
CID 29044590
2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(3,5-dichlorophenyl)acetamide
CID 17228837
2-[(4S)-2-[[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-methylphenyl)acetamide
CID 29158251
2-[(4S)-2-[[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 30465582
2-[(4R)-2-[[amino-(4-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(4-phenoxyphenyl)acetamide
CID 30465671
2-[2-[(E)-[amino-(3-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 43841162
2-[2-[(E)-[amino-(4-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 43841256
2-[(4S)-2-[[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 30465650
2-[(4S)-2-[[amino-(4-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 30465662
2-[2-[(E)-[amino-(3-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-ethylphenyl)acetamide
CID 43841183
butyl 4-[[2-[2-[(E)-[amino-(3-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]acetyl]amino]benzoate
CID 43841165

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(4-bromophenyl)acetamide?
The IUPAC name of 2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(4-bromophenyl)acetamide (CID 17228829) is 2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(4-bromophenyl)acetamide.
What is the SMILES notation for 2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(4-bromophenyl)acetamide?
The canonical SMILES for 2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(4-bromophenyl)acetamide is N/C(=N\C1=NC(CC(=O)Nc2ccc(Br)cc2)C(=O)N1)Nc1ccccc1.
What is the InChIKey of 2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(4-bromophenyl)acetamide?
The InChIKey is FJRZUMMARGGAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN6O2/c19-11-6-8-13(9-7-11)21-15(26)10-14-16(27)24-18(23-14)25-17(20)22-12-4-2-1-3-5-12/h1-9,14H,10H2,(H,21,26)(H4,20,22,23,24,25,27).
What are the key properties of 2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(4-bromophenyl)acetamide?
2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(4-bromophenyl)acetamide has a molecular weight of 429.28 g/mol, XLogP of 2.06, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(4-bromophenyl)acetamide is sourced from PubChem (CID 17228829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).