2-[2-[(E)-[amino-(3-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(5-chloro-2-methylphenyl)acetamide

C20H21ClN6O2 — CID 43841157

IUPAC2-[2-[(E)-[amino-(3-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(5-chloro-2-methylphenyl)acetamide
SMILESCc1cccc(N/C(N)=N/C2=NC(CC(=O)Nc3cc(Cl)ccc3C)C(=O)N2)c1
InChIInChI=1S/C20H21ClN6O2/c1-11-4-3-5-14(8-11)23-19(22)27-20-25-16(18(29)26-20)10-17(28)24-15-9-13(21)7-6-12(15)2/h3-9,16H,10H2,1-2H3,(H,24,28)(H4,22,23,25,26,27,29)
InChIKeyLFZIWWJOAMANQZ-UHFFFAOYSA-N
MW412.88 g/mol
LogP2.57
Rot. Bonds4

About 2-[2-[(E)-[amino-(3-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(5-chloro-2-methylphenyl)acetamide

2-[2-[(E)-[amino-(3-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(5-chloro-2-methylphenyl)acetamide (PubChem CID 43841157) has the molecular formula C20H21ClN6O2 and a molecular weight of 412.88 g/mol. Its IUPAC name is 2-[2-[(E)-[amino-(3-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(5-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[(E)-[amino-(3-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(5-chloro-2-methylphenyl)acetamide
PubChem CID43841157
Molecular FormulaC20H21ClN6O2
Molecular Weight412.88 g/mol
Exact Mass412.14
IUPAC Name2-[2-[(E)-[amino-(3-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(5-chloro-2-methylphenyl)acetamide
SMILESCc1cccc(N/C(N)=N/C2=NC(CC(=O)Nc3cc(Cl)ccc3C)C(=O)N2)c1
InChIInChI=1S/C20H21ClN6O2/c1-11-4-3-5-14(8-11)23-19(22)27-20-25-16(18(29)26-20)10-17(28)24-15-9-13(21)7-6-12(15)2/h3-9,16H,10H2,1-2H3,(H,24,28)(H4,22,23,25,26,27,29)
InChIKeyLFZIWWJOAMANQZ-UHFFFAOYSA-N
XLogP2.57
TPSA120.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.88
LogP ≤ 52.57
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-(3-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2,3-dichlorophenyl)acetamide
CID 43841180
2-[2-[(E)-[amino-(3-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-ethylphenyl)acetamide
CID 43841183
2-[2-[(E)-[amino-(3-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-fluoro-4-methylphenyl)acetamide
CID 43841284
2-[2-[(E)-[amino-(3-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 43841197
2-[(4S)-2-[[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-methylphenyl)acetamide
CID 29158251
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-(2-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-chloro-4-methylphenyl)acetamide
CID 43841252
2-[2-[(E)-[amino-(2-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(3,5-dichlorophenyl)acetamide
CID 43841213
2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(3,5-dichlorophenyl)acetamide
CID 17228837
2-[2-[(E)-[amino-(2-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2,3-dichlorophenyl)acetamide
CID 43841237
butyl 4-[[2-[2-[(E)-[amino-(3-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]acetyl]amino]benzoate
CID 43841165
2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(4-ethylphenyl)acetamide
CID 17228827

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-[amino-(3-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(5-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-[2-[(E)-[amino-(3-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(5-chloro-2-methylphenyl)acetamide (CID 43841157) is 2-[2-[(E)-[amino-(3-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(5-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-[(E)-[amino-(3-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(5-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[2-[(E)-[amino-(3-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(5-chloro-2-methylphenyl)acetamide is Cc1cccc(N/C(N)=N/C2=NC(CC(=O)Nc3cc(Cl)ccc3C)C(=O)N2)c1.
What is the InChIKey of 2-[2-[(E)-[amino-(3-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(5-chloro-2-methylphenyl)acetamide?
The InChIKey is LFZIWWJOAMANQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6O2/c1-11-4-3-5-14(8-11)23-19(22)27-20-25-16(18(29)26-20)10-17(28)24-15-9-13(21)7-6-12(15)2/h3-9,16H,10H2,1-2H3,(H,24,28)(H4,22,23,25,26,27,29).
What are the key properties of 2-[2-[(E)-[amino-(3-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(5-chloro-2-methylphenyl)acetamide?
2-[2-[(E)-[amino-(3-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(5-chloro-2-methylphenyl)acetamide has a molecular weight of 412.88 g/mol, XLogP of 2.57, 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-(3-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(5-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 43841157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).