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

C20H22N6O4 — CID 30465650

IUPAC2-[(4S)-2-[[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)C[C@@H]2N=C(N=C(N)Nc3ccccc3)NC2=O)c(OC)c1
InChIInChI=1S/C20H22N6O4/c1-29-13-8-9-14(16(10-13)30-2)23-17(27)11-15-18(28)25-20(24-15)26-19(21)22-12-6-4-3-5-7-12/h3-10,15H,11H2,1-2H3,(H,23,27)(H4,21,22,24,25,26,28)/t15-/m0/s1
InChIKeyOSVQXEWZXNDMGC-HNNXBMFYSA-N
MW410.43 g/mol
LogP1.31
Rot. Bonds6

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

2-[(4S)-2-[[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2,4-dimethoxyphenyl)acetamide (PubChem CID 30465650) has the molecular formula C20H22N6O4 and a molecular weight of 410.43 g/mol. Its IUPAC name is 2-[(4S)-2-[[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-2-[[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2,4-dimethoxyphenyl)acetamide
PubChem CID30465650
Molecular FormulaC20H22N6O4
Molecular Weight410.43 g/mol
Exact Mass410.17
IUPAC Name2-[(4S)-2-[[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)C[C@@H]2N=C(N=C(N)Nc3ccccc3)NC2=O)c(OC)c1
InChIInChI=1S/C20H22N6O4/c1-29-13-8-9-14(16(10-13)30-2)23-17(27)11-15-18(28)25-20(24-15)26-19(21)22-12-6-4-3-5-7-12/h3-10,15H,11H2,1-2H3,(H,23,27)(H4,21,22,24,25,26,28)/t15-/m0/s1
InChIKeyOSVQXEWZXNDMGC-HNNXBMFYSA-N
XLogP1.31
TPSA139.43 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 51.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(4S)-2-[[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2,4-dimethoxyphenyl)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-[2-[(E)-[amino-(3-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 43841197
2-[2-[(E)-[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 43841280
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-(2-fluoro-4-methylphenyl)acetamide
CID 43841284
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-(2-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2-chloro-4-methylphenyl)acetamide
CID 43841252
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-(4-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 43841256
2-[2-[(E)-[amino-(2-methylanilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(1,3-benzodioxol-5-yl)acetamide
CID 43841243
2-(2-anilino-1,3-thiazol-4-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 30940318
N-(2,4-dimethoxyphenyl)-2-[(5S)-2-(2-methylpropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135938646

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-2-[[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[(4S)-2-[[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2,4-dimethoxyphenyl)acetamide (CID 30465650) is 2-[(4S)-2-[[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(4S)-2-[[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[(4S)-2-[[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)C[C@@H]2N=C(N=C(N)Nc3ccccc3)NC2=O)c(OC)c1.
What is the InChIKey of 2-[(4S)-2-[[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2,4-dimethoxyphenyl)acetamide?
The InChIKey is OSVQXEWZXNDMGC-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H22N6O4/c1-29-13-8-9-14(16(10-13)30-2)23-17(27)11-15-18(28)25-20(24-15)26-19(21)22-12-6-4-3-5-7-12/h3-10,15H,11H2,1-2H3,(H,23,27)(H4,21,22,24,25,26,28)/t15-/m0/s1.
What are the key properties of 2-[(4S)-2-[[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2,4-dimethoxyphenyl)acetamide?
2-[(4S)-2-[[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2,4-dimethoxyphenyl)acetamide has a molecular weight of 410.43 g/mol, XLogP of 1.31, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-2-[[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(2,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 30465650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).