2-[(4R)-2-[[amino-(4-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(4-phenoxyphenyl)acetamide

C25H24N6O3 — CID 30465671

IUPAC2-[(4R)-2-[[amino-(4-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(4-phenoxyphenyl)acetamide
SMILESCc1ccc(NC(N)=NC2=N[C@H](CC(=O)Nc3ccc(Oc4ccccc4)cc3)C(=O)N2)cc1
InChIInChI=1S/C25H24N6O3/c1-16-7-9-18(10-8-16)28-24(26)31-25-29-21(23(33)30-25)15-22(32)27-17-11-13-20(14-12-17)34-19-5-3-2-4-6-19/h2-14,21H,15H2,1H3,(H,27,32)(H4,26,28,29,30,31,33)/t21-/m1/s1
InChIKeyYDDPGXULXXVESX-OAQYLSRUSA-N
MW456.51 g/mol
LogP3.40
Rot. Bonds6

About 2-[(4R)-2-[[amino-(4-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(4-phenoxyphenyl)acetamide

2-[(4R)-2-[[amino-(4-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(4-phenoxyphenyl)acetamide (PubChem CID 30465671) has the molecular formula C25H24N6O3 and a molecular weight of 456.51 g/mol. Its IUPAC name is 2-[(4R)-2-[[amino-(4-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(4R)-2-[[amino-(4-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(4-phenoxyphenyl)acetamide
PubChem CID30465671
Molecular FormulaC25H24N6O3
Molecular Weight456.51 g/mol
Exact Mass456.19
IUPAC Name2-[(4R)-2-[[amino-(4-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(4-phenoxyphenyl)acetamide
SMILESCc1ccc(NC(N)=NC2=N[C@H](CC(=O)Nc3ccc(Oc4ccccc4)cc3)C(=O)N2)cc1
InChIInChI=1S/C25H24N6O3/c1-16-7-9-18(10-8-16)28-24(26)31-25-29-21(23(33)30-25)15-22(32)27-17-11-13-20(14-12-17)34-19-5-3-2-4-6-19/h2-14,21H,15H2,1H3,(H,27,32)(H4,26,28,29,30,31,33)/t21-/m1/s1
InChIKeyYDDPGXULXXVESX-OAQYLSRUSA-N
XLogP3.40
TPSA130.20 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 53.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-[(4S)-2-[[amino-(4-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 30465662
2-[2-[(E)-[amino-(4-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 43841256
2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(4-ethylphenyl)acetamide
CID 17228827
2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(4-bromophenyl)acetamide
CID 17228829
2-[2-[(E)-[amino-(3-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 43841162
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-(2,4-dimethoxyphenyl)acetamide
CID 30465650
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
butyl 4-[[2-[2-[(E)-[amino-(3-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]acetyl]amino]benzoate
CID 43841165
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-[2-[(E)-[amino-(3-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 43841197

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-2-[[amino-(4-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-[(4R)-2-[[amino-(4-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(4-phenoxyphenyl)acetamide (CID 30465671) is 2-[(4R)-2-[[amino-(4-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[(4R)-2-[[amino-(4-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[(4R)-2-[[amino-(4-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(4-phenoxyphenyl)acetamide is Cc1ccc(NC(N)=NC2=N[C@H](CC(=O)Nc3ccc(Oc4ccccc4)cc3)C(=O)N2)cc1.
What is the InChIKey of 2-[(4R)-2-[[amino-(4-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(4-phenoxyphenyl)acetamide?
The InChIKey is YDDPGXULXXVESX-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H24N6O3/c1-16-7-9-18(10-8-16)28-24(26)31-25-29-21(23(33)30-25)15-22(32)27-17-11-13-20(14-12-17)34-19-5-3-2-4-6-19/h2-14,21H,15H2,1H3,(H,27,32)(H4,26,28,29,30,31,33)/t21-/m1/s1.
What are the key properties of 2-[(4R)-2-[[amino-(4-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(4-phenoxyphenyl)acetamide?
2-[(4R)-2-[[amino-(4-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(4-phenoxyphenyl)acetamide has a molecular weight of 456.51 g/mol, XLogP of 3.40, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-2-[[amino-(4-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 30465671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).