2,4,6-trimethyl-3,5-diphenylbenzohydrazide

C22H22N2O — CID 150299746

IUPAC2,4,6-trimethyl-3,5-diphenylbenzohydrazide
SMILESCc1c(C(=O)NN)c(C)c(-c2ccccc2)c(C)c1-c1ccccc1
InChIInChI=1S/C22H22N2O/c1-14-19(17-10-6-4-7-11-17)15(2)21(22(25)24-23)16(3)20(14)18-12-8-5-9-13-18/h4-13H,23H2,1-3H3,(H,24,25)
InChIKeyGJISMFAQHHIKID-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.55
Rot. Bonds3

About 2,4,6-trimethyl-3,5-diphenylbenzohydrazide

2,4,6-trimethyl-3,5-diphenylbenzohydrazide (PubChem CID 150299746) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is 2,4,6-trimethyl-3,5-diphenylbenzohydrazide.

Molecular Properties

Compound Name2,4,6-trimethyl-3,5-diphenylbenzohydrazide
PubChem CID150299746
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name2,4,6-trimethyl-3,5-diphenylbenzohydrazide
SMILESCc1c(C(=O)NN)c(C)c(-c2ccccc2)c(C)c1-c1ccccc1
InChIInChI=1S/C22H22N2O/c1-14-19(17-10-6-4-7-11-17)15(2)21(22(25)24-23)16(3)20(14)18-12-8-5-9-13-18/h4-13H,23H2,1-3H3,(H,24,25)
InChIKeyGJISMFAQHHIKID-UHFFFAOYSA-N
XLogP4.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,4,6-trimethyl-3,5-diphenylbenzohydrazide 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

5-methyl-6-phenylbenzene-1,2,3,4-tetracarboxylic acid
CID 175443870
anthracene-9,10-dicarbohydrazide
CID 139611931
2,4-dimethylquinoline-3-carbohydrazide
CID 3811999
2,6-dimethylbenzohydrazide;2,6-dimethylbenzoic acid
CID 161062833
benzohydrazide;propane
CID 90709051
acetic acid;benzene-1,2-dicarbohydrazide
CID 174566374
ethane;1,2,3,4,5-pentamethyl-6-phenylbenzene
CID 91414507
ethyl 5-chloro-2-hydroxy-3,6-dimethyl-4-phenylbenzoate
CID 101384022
N-[3-(hydrazinecarbonyl)-4,5-dimethylthiophen-2-yl]benzamide
CID 571260
3,4-diphenylquinoline-2-carbohydrazide
CID 69340657
benzohydrazide;molybdenum
CID 162076561
azulene-1-carbohydrazide
CID 45118106

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-3,5-diphenylbenzohydrazide?
The IUPAC name of 2,4,6-trimethyl-3,5-diphenylbenzohydrazide (CID 150299746) is 2,4,6-trimethyl-3,5-diphenylbenzohydrazide.
What is the SMILES notation for 2,4,6-trimethyl-3,5-diphenylbenzohydrazide?
The canonical SMILES for 2,4,6-trimethyl-3,5-diphenylbenzohydrazide is Cc1c(C(=O)NN)c(C)c(-c2ccccc2)c(C)c1-c1ccccc1.
What is the InChIKey of 2,4,6-trimethyl-3,5-diphenylbenzohydrazide?
The InChIKey is GJISMFAQHHIKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c1-14-19(17-10-6-4-7-11-17)15(2)21(22(25)24-23)16(3)20(14)18-12-8-5-9-13-18/h4-13H,23H2,1-3H3,(H,24,25).
What are the key properties of 2,4,6-trimethyl-3,5-diphenylbenzohydrazide?
2,4,6-trimethyl-3,5-diphenylbenzohydrazide has a molecular weight of 330.43 g/mol, XLogP of 4.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-3,5-diphenylbenzohydrazide is sourced from PubChem (CID 150299746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).