N'-anilino-3,4-dimethoxy-N-phenyliminobenzenecarboximidamide

C21H20N4O2 — CID 6520538

IUPACN'-anilino-3,4-dimethoxy-N-phenyliminobenzenecarboximidamide
SMILESCOc1ccc(C(/N=N/c2ccccc2)=N\Nc2ccccc2)cc1OC
InChIInChI=1S/C21H20N4O2/c1-26-19-14-13-16(15-20(19)27-2)21(24-22-17-9-5-3-6-10-17)25-23-18-11-7-4-8-12-18/h3-15,22H,1-2H3/b24-21+,25-23+
InChIKeyKMCUNJFFGXRSMF-OJKLJAQXSA-N
MW360.42 g/mol
LogP5.26
Rot. Bonds6

About N'-anilino-3,4-dimethoxy-N-phenyliminobenzenecarboximidamide

N'-anilino-3,4-dimethoxy-N-phenyliminobenzenecarboximidamide (PubChem CID 6520538) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N'-anilino-3,4-dimethoxy-N-phenyliminobenzenecarboximidamide.

Molecular Properties

Compound NameN'-anilino-3,4-dimethoxy-N-phenyliminobenzenecarboximidamide
PubChem CID6520538
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN'-anilino-3,4-dimethoxy-N-phenyliminobenzenecarboximidamide
SMILESCOc1ccc(C(/N=N/c2ccccc2)=N\Nc2ccccc2)cc1OC
InChIInChI=1S/C21H20N4O2/c1-26-19-14-13-16(15-20(19)27-2)21(24-22-17-9-5-3-6-10-17)25-23-18-11-7-4-8-12-18/h3-15,22H,1-2H3/b24-21+,25-23+
InChIKeyKMCUNJFFGXRSMF-OJKLJAQXSA-N
XLogP5.26
TPSA67.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.42
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-anilino-3,4-dimethoxy-N-phenyliminobenzenecarboximidamide 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

N'-anilino-4-iodo-N-phenyliminobenzenecarboximidamide
CID 171377884
[4-(N'-anilino-N-phenyliminocarbamimidoyl)phenyl] acetate
CID 3841289
N'-anilino-N-[4-(2-phenylethenyl)phenyl]iminobenzenecarboximidamide
CID 53413479
N'-anilino-3-nitro-N-(4-nitrophenyl)iminobenzenecarboximidamide
CID 101459660
N-[(Z)-[(3,4-dimethoxyphenyl)-[(3-methylphenyl)diazenyl]methylidene]amino]-2-oxochromene-3-carboxamide
CID 135487999
N'-anilino-N-(4,6-dimethylpyrimidin-2-yl)iminobenzenecarboximidamide
CID 71393717
N'-[2-methoxy-4-[3-methoxy-4-[(2Z)-2-[[(4-nitrophenyl)diazenyl]-phenylmethylidene]hydrazinyl]phenyl]anilino]-N-(4-nitrophenyl)iminobenzenecarboximidamide
CID 170853634
N-[2-methoxy-4-[3-methoxy-4-[[N-(4-nitroanilino)-C-phenylcarbonimidoyl]diazenyl]phenyl]phenyl]imino-N'-(4-nitroanilino)benzenecarboximidamide
CID 4066202
2-[[4-(3,4-dimethoxybenzoyl)phenyl]hydrazinylidene]propanedinitrile
CID 169341217
N-[(E)-1-(2-methoxyphenyl)ethylideneamino]aniline
CID 15349196
3,4-dimethoxy-N-(phenylcarbamothioyl)benzamide
CID 815886
4-hydroxy-3-methoxy-N-phenylimino-N'-[4-(pyridin-2-ylamino)-1,3-thiazol-2-yl]benzenecarboximidamide
CID 135530116

Frequently Asked Questions

What is the IUPAC name of N'-anilino-3,4-dimethoxy-N-phenyliminobenzenecarboximidamide?
The IUPAC name of N'-anilino-3,4-dimethoxy-N-phenyliminobenzenecarboximidamide (CID 6520538) is N'-anilino-3,4-dimethoxy-N-phenyliminobenzenecarboximidamide.
What is the SMILES notation for N'-anilino-3,4-dimethoxy-N-phenyliminobenzenecarboximidamide?
The canonical SMILES for N'-anilino-3,4-dimethoxy-N-phenyliminobenzenecarboximidamide is COc1ccc(C(/N=N/c2ccccc2)=N\Nc2ccccc2)cc1OC.
What is the InChIKey of N'-anilino-3,4-dimethoxy-N-phenyliminobenzenecarboximidamide?
The InChIKey is KMCUNJFFGXRSMF-OJKLJAQXSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-26-19-14-13-16(15-20(19)27-2)21(24-22-17-9-5-3-6-10-17)25-23-18-11-7-4-8-12-18/h3-15,22H,1-2H3/b24-21+,25-23+.
What are the key properties of N'-anilino-3,4-dimethoxy-N-phenyliminobenzenecarboximidamide?
N'-anilino-3,4-dimethoxy-N-phenyliminobenzenecarboximidamide has a molecular weight of 360.42 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-anilino-3,4-dimethoxy-N-phenyliminobenzenecarboximidamide is sourced from PubChem (CID 6520538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).