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

C19H19N7O5 — CID 43841280

IUPAC2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-methoxy-4-nitrophenyl)acetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)CC1N=C(/N=C(\N)Nc2ccccc2)NC1=O
InChIInChI=1S/C19H19N7O5/c1-31-15-9-12(26(29)30)7-8-13(15)22-16(27)10-14-17(28)24-19(23-14)25-18(20)21-11-5-3-2-4-6-11/h2-9,14H,10H2,1H3,(H,22,27)(H4,20,21,23,24,25,28)
InChIKeyUZBVCMLLAYODDB-UHFFFAOYSA-N
MW425.41 g/mol
LogP1.21
Rot. Bonds6

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

2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-methoxy-4-nitrophenyl)acetamide (PubChem CID 43841280) has the molecular formula C19H19N7O5 and a molecular weight of 425.41 g/mol. Its IUPAC name is 2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-methoxy-4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-methoxy-4-nitrophenyl)acetamide
PubChem CID43841280
Molecular FormulaC19H19N7O5
Molecular Weight425.41 g/mol
Exact Mass425.14
IUPAC Name2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-methoxy-4-nitrophenyl)acetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)CC1N=C(/N=C(\N)Nc2ccccc2)NC1=O
InChIInChI=1S/C19H19N7O5/c1-31-15-9-12(26(29)30)7-8-13(15)22-16(27)10-14-17(28)24-19(23-14)25-18(20)21-11-5-3-2-4-6-11/h2-9,14H,10H2,1H3,(H,22,27)(H4,20,21,23,24,25,28)
InChIKeyUZBVCMLLAYODDB-UHFFFAOYSA-N
XLogP1.21
TPSA173.34 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.41
LogP ≤ 51.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-methoxy-4-nitrophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4S)-2-[[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 30465650
2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(4-ethylphenyl)acetamide
CID 17228827
N-(2-methoxy-4-nitrophenyl)-2-(2-methoxyphenoxy)acetamide
CID 7720081
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-methoxy-4-nitroanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8588907
methyl (2S)-2-[[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]amino]-2-phenylacetate
CID 52527061
2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 60641116
N-(2-methoxy-4-nitrophenyl)-2-[(5R)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135953982
N-(2-methoxy-4-nitrophenyl)-2-[(2R)-1-[2-(4-methylanilino)-2-oxoethyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 26888149
2-phenylethyl 4-(2-methoxy-4-nitroanilino)-4-oxobutanoate
CID 54781625
N-(2-methoxy-4-nitrophenyl)-3-phenylsulfanylpropanamide
CID 2975221
N-(2-methoxy-4-nitrophenyl)-4-(2-methoxyphenoxy)butanamide
CID 2954646

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-methoxy-4-nitrophenyl)acetamide?
The IUPAC name of 2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-methoxy-4-nitrophenyl)acetamide (CID 43841280) is 2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-methoxy-4-nitrophenyl)acetamide.
What is the SMILES notation for 2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-methoxy-4-nitrophenyl)acetamide?
The canonical SMILES for 2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-methoxy-4-nitrophenyl)acetamide is COc1cc([N+](=O)[O-])ccc1NC(=O)CC1N=C(/N=C(\N)Nc2ccccc2)NC1=O.
What is the InChIKey of 2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-methoxy-4-nitrophenyl)acetamide?
The InChIKey is UZBVCMLLAYODDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O5/c1-31-15-9-12(26(29)30)7-8-13(15)22-16(27)10-14-17(28)24-19(23-14)25-18(20)21-11-5-3-2-4-6-11/h2-9,14H,10H2,1H3,(H,22,27)(H4,20,21,23,24,25,28).
What are the key properties of 2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-methoxy-4-nitrophenyl)acetamide?
2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-methoxy-4-nitrophenyl)acetamide has a molecular weight of 425.41 g/mol, XLogP of 1.21, 6 rotatable bonds, 4 hydrogen bond donors, and 7 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-(2-methoxy-4-nitrophenyl)acetamide is sourced from PubChem (CID 43841280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).