N,N'-bis(4-methoxyphenyl)benzenecarboximidamide

C21H20N2O2 — CID 3027143

IUPACN,N'-bis(4-methoxyphenyl)benzenecarboximidamide
SMILESCOc1ccc(/N=C(/Nc2ccc(OC)cc2)c2ccccc2)cc1
InChIInChI=1S/C21H20N2O2/c1-24-19-12-8-17(9-13-19)22-21(16-6-4-3-5-7-16)23-18-10-14-20(25-2)15-11-18/h3-15H,1-2H3,(H,22,23)
InChIKeyDJVHHMMPKWIKGZ-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.89
Rot. Bonds5

About N,N'-bis(4-methoxyphenyl)benzenecarboximidamide

N,N'-bis(4-methoxyphenyl)benzenecarboximidamide (PubChem CID 3027143) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is N,N'-bis(4-methoxyphenyl)benzenecarboximidamide.

Molecular Properties

Compound NameN,N'-bis(4-methoxyphenyl)benzenecarboximidamide
PubChem CID3027143
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC NameN,N'-bis(4-methoxyphenyl)benzenecarboximidamide
SMILESCOc1ccc(/N=C(/Nc2ccc(OC)cc2)c2ccccc2)cc1
InChIInChI=1S/C21H20N2O2/c1-24-19-12-8-17(9-13-19)22-21(16-6-4-3-5-7-16)23-18-10-14-20(25-2)15-11-18/h3-15H,1-2H3,(H,22,23)
InChIKeyDJVHHMMPKWIKGZ-UHFFFAOYSA-N
XLogP4.89
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,N'-bis(4-methoxyphenyl)benzenecarboximidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(4-methoxyphenyl)benzenecarboximidamide?
The IUPAC name of N,N'-bis(4-methoxyphenyl)benzenecarboximidamide (CID 3027143) is N,N'-bis(4-methoxyphenyl)benzenecarboximidamide.
What is the SMILES notation for N,N'-bis(4-methoxyphenyl)benzenecarboximidamide?
The canonical SMILES for N,N'-bis(4-methoxyphenyl)benzenecarboximidamide is COc1ccc(/N=C(/Nc2ccc(OC)cc2)c2ccccc2)cc1.
What is the InChIKey of N,N'-bis(4-methoxyphenyl)benzenecarboximidamide?
The InChIKey is DJVHHMMPKWIKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-24-19-12-8-17(9-13-19)22-21(16-6-4-3-5-7-16)23-18-10-14-20(25-2)15-11-18/h3-15H,1-2H3,(H,22,23).
What are the key properties of N,N'-bis(4-methoxyphenyl)benzenecarboximidamide?
N,N'-bis(4-methoxyphenyl)benzenecarboximidamide has a molecular weight of 332.40 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(4-methoxyphenyl)benzenecarboximidamide is sourced from PubChem (CID 3027143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).