3,5-dimethyl-N,N'-bis(2,4,6-trimethylphenyl)benzenecarboximidamide

C27H32N2 — CID 102233821

IUPAC3,5-dimethyl-N,N'-bis(2,4,6-trimethylphenyl)benzenecarboximidamide
SMILESCc1cc(C)cc(/C(=N\c2c(C)cc(C)cc2C)Nc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C27H32N2/c1-16-9-17(2)15-24(14-16)27(28-25-20(5)10-18(3)11-21(25)6)29-26-22(7)12-19(4)13-23(26)8/h9-15H,1-8H3,(H,28,29)
InChIKeyOLVHZDXARHTCBS-UHFFFAOYSA-N
MW384.57 g/mol
LogP7.34
Rot. Bonds3

About 3,5-dimethyl-N,N'-bis(2,4,6-trimethylphenyl)benzenecarboximidamide

3,5-dimethyl-N,N'-bis(2,4,6-trimethylphenyl)benzenecarboximidamide (PubChem CID 102233821) has the molecular formula C27H32N2 and a molecular weight of 384.57 g/mol. Its IUPAC name is 3,5-dimethyl-N,N'-bis(2,4,6-trimethylphenyl)benzenecarboximidamide.

Molecular Properties

Compound Name3,5-dimethyl-N,N'-bis(2,4,6-trimethylphenyl)benzenecarboximidamide
PubChem CID102233821
Molecular FormulaC27H32N2
Molecular Weight384.57 g/mol
Exact Mass384.26
IUPAC Name3,5-dimethyl-N,N'-bis(2,4,6-trimethylphenyl)benzenecarboximidamide
SMILESCc1cc(C)cc(/C(=N\c2c(C)cc(C)cc2C)Nc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C27H32N2/c1-16-9-17(2)15-24(14-16)27(28-25-20(5)10-18(3)11-21(25)6)29-26-22(7)12-19(4)13-23(26)8/h9-15H,1-8H3,(H,28,29)
InChIKeyOLVHZDXARHTCBS-UHFFFAOYSA-N
XLogP7.34
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.57
LogP ≤ 57.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,5-dimethyl-N,N'-bis(2,4,6-trimethylphenyl)benzenecarboximidamide 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

1-N,1-N',2-N,2-N'-tetrakis(2,4,6-trimethylphenyl)ethanediimidamide
CID 5246161
3,5-dimethyl-N-(2,4,6-trimethylphenyl)benzamide
CID 918543
N-(2,4,6-trimethylphenyl)propan-2-imine
CID 129229115
3-phenyl-N,N'-bis(2,4,6-trimethylphenyl)prop-2-ynimidamide
CID 20660785
1,3-bis(2,4,6-trimethylphenyl)thiourea
CID 2307469
N,N'-bis(2,4,6-trimethylphenyl)oxamide
CID 13271247
(2,4,6-trimethylphenyl)thiourea
CID 2731118
N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
2,4,6-trimethyl-N-[4-(2,4,6-trimethylphenyl)iminopentan-2-yl]aniline
CID 102367216
3-bromo-5-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 104851725
(E)-N,N'-bis(2,4,6-trimethylphenyl)but-2-enediamide
CID 1091194
methyl N'-methylsulfonyl-N-(2,4,6-trimethylphenyl)carbamimidate
CID 14399776

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N,N'-bis(2,4,6-trimethylphenyl)benzenecarboximidamide?
The IUPAC name of 3,5-dimethyl-N,N'-bis(2,4,6-trimethylphenyl)benzenecarboximidamide (CID 102233821) is 3,5-dimethyl-N,N'-bis(2,4,6-trimethylphenyl)benzenecarboximidamide.
What is the SMILES notation for 3,5-dimethyl-N,N'-bis(2,4,6-trimethylphenyl)benzenecarboximidamide?
The canonical SMILES for 3,5-dimethyl-N,N'-bis(2,4,6-trimethylphenyl)benzenecarboximidamide is Cc1cc(C)cc(/C(=N\c2c(C)cc(C)cc2C)Nc2c(C)cc(C)cc2C)c1.
What is the InChIKey of 3,5-dimethyl-N,N'-bis(2,4,6-trimethylphenyl)benzenecarboximidamide?
The InChIKey is OLVHZDXARHTCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2/c1-16-9-17(2)15-24(14-16)27(28-25-20(5)10-18(3)11-21(25)6)29-26-22(7)12-19(4)13-23(26)8/h9-15H,1-8H3,(H,28,29).
What are the key properties of 3,5-dimethyl-N,N'-bis(2,4,6-trimethylphenyl)benzenecarboximidamide?
3,5-dimethyl-N,N'-bis(2,4,6-trimethylphenyl)benzenecarboximidamide has a molecular weight of 384.57 g/mol, XLogP of 7.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N,N'-bis(2,4,6-trimethylphenyl)benzenecarboximidamide is sourced from PubChem (CID 102233821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).