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

C20H21ClN6O2 — CID 43841252

IUPAC2-[2-[(E)-[amino-(2-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CC2N=C(/N=C(\N)Nc3ccccc3C)NC2=O)c(Cl)c1
InChIInChI=1S/C20H21ClN6O2/c1-11-7-8-15(13(21)9-11)23-17(28)10-16-18(29)26-20(25-16)27-19(22)24-14-6-4-3-5-12(14)2/h3-9,16H,10H2,1-2H3,(H,23,28)(H4,22,24,25,26,27,29)
InChIKeyPYGZXPJERYHIBC-UHFFFAOYSA-N
MW412.88 g/mol
LogP2.57
Rot. Bonds4

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

2-[2-[(E)-[amino-(2-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-chloro-4-methylphenyl)acetamide (PubChem CID 43841252) has the molecular formula C20H21ClN6O2 and a molecular weight of 412.88 g/mol. Its IUPAC name is 2-[2-[(E)-[amino-(2-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-chloro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[(E)-[amino-(2-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-chloro-4-methylphenyl)acetamide
PubChem CID43841252
Molecular FormulaC20H21ClN6O2
Molecular Weight412.88 g/mol
Exact Mass412.14
IUPAC Name2-[2-[(E)-[amino-(2-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CC2N=C(/N=C(\N)Nc3ccccc3C)NC2=O)c(Cl)c1
InChIInChI=1S/C20H21ClN6O2/c1-11-7-8-15(13(21)9-11)23-17(28)10-16-18(29)26-20(25-16)27-19(22)24-14-6-4-3-5-12(14)2/h3-9,16H,10H2,1-2H3,(H,23,28)(H4,22,24,25,26,27,29)
InChIKeyPYGZXPJERYHIBC-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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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-[amino-(2-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-chloro-4-methylphenyl)acetamide?
The IUPAC name of 2-[2-[(E)-[amino-(2-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-chloro-4-methylphenyl)acetamide (CID 43841252) is 2-[2-[(E)-[amino-(2-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-chloro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-[(E)-[amino-(2-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-chloro-4-methylphenyl)acetamide?
The canonical SMILES for 2-[2-[(E)-[amino-(2-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-chloro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CC2N=C(/N=C(\N)Nc3ccccc3C)NC2=O)c(Cl)c1.
What is the InChIKey of 2-[2-[(E)-[amino-(2-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-chloro-4-methylphenyl)acetamide?
The InChIKey is PYGZXPJERYHIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6O2/c1-11-7-8-15(13(21)9-11)23-17(28)10-16-18(29)26-20(25-16)27-19(22)24-14-6-4-3-5-12(14)2/h3-9,16H,10H2,1-2H3,(H,23,28)(H4,22,24,25,26,27,29).
What are the key properties of 2-[2-[(E)-[amino-(2-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-chloro-4-methylphenyl)acetamide?
2-[2-[(E)-[amino-(2-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-chloro-4-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-(2-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-chloro-4-methylphenyl)acetamide is sourced from PubChem (CID 43841252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).