N,N'-dibenzyl-4-hydroxy-2-(4-methylphenyl)-1H-imidazole-5-carboximidamide

C25H24N4O — CID 3530553

IUPACN,N'-dibenzyl-4-hydroxy-2-(4-methylphenyl)-1H-imidazole-5-carboximidamide
SMILESCc1ccc(-c2nc(O)c(/C(=N/Cc3ccccc3)NCc3ccccc3)[nH]2)cc1
InChIInChI=1S/C25H24N4O/c1-18-12-14-21(15-13-18)23-28-22(25(30)29-23)24(26-16-19-8-4-2-5-9-19)27-17-20-10-6-3-7-11-20/h2-15,30H,16-17H2,1H3,(H,26,27)(H,28,29)
InChIKeyBIUSANINBMWHTA-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.83
Rot. Bonds6

About N,N'-dibenzyl-4-hydroxy-2-(4-methylphenyl)-1H-imidazole-5-carboximidamide

N,N'-dibenzyl-4-hydroxy-2-(4-methylphenyl)-1H-imidazole-5-carboximidamide (PubChem CID 3530553) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is N,N'-dibenzyl-4-hydroxy-2-(4-methylphenyl)-1H-imidazole-5-carboximidamide.

Molecular Properties

Compound NameN,N'-dibenzyl-4-hydroxy-2-(4-methylphenyl)-1H-imidazole-5-carboximidamide
PubChem CID3530553
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN,N'-dibenzyl-4-hydroxy-2-(4-methylphenyl)-1H-imidazole-5-carboximidamide
SMILESCc1ccc(-c2nc(O)c(/C(=N/Cc3ccccc3)NCc3ccccc3)[nH]2)cc1
InChIInChI=1S/C25H24N4O/c1-18-12-14-21(15-13-18)23-28-22(25(30)29-23)24(26-16-19-8-4-2-5-9-19)27-17-20-10-6-3-7-11-20/h2-15,30H,16-17H2,1H3,(H,26,27)(H,28,29)
InChIKeyBIUSANINBMWHTA-UHFFFAOYSA-N
XLogP4.83
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.83
H-Bond Donors ≤ 53
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'-dibenzyl-4-hydroxy-2-(4-methylphenyl)-1H-imidazole-5-carboximidamide 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'-dibenzyl-4-hydroxy-2-(4-methylphenyl)-1H-imidazole-5-carboximidamide?
The IUPAC name of N,N'-dibenzyl-4-hydroxy-2-(4-methylphenyl)-1H-imidazole-5-carboximidamide (CID 3530553) is N,N'-dibenzyl-4-hydroxy-2-(4-methylphenyl)-1H-imidazole-5-carboximidamide.
What is the SMILES notation for N,N'-dibenzyl-4-hydroxy-2-(4-methylphenyl)-1H-imidazole-5-carboximidamide?
The canonical SMILES for N,N'-dibenzyl-4-hydroxy-2-(4-methylphenyl)-1H-imidazole-5-carboximidamide is Cc1ccc(-c2nc(O)c(/C(=N/Cc3ccccc3)NCc3ccccc3)[nH]2)cc1.
What is the InChIKey of N,N'-dibenzyl-4-hydroxy-2-(4-methylphenyl)-1H-imidazole-5-carboximidamide?
The InChIKey is BIUSANINBMWHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O/c1-18-12-14-21(15-13-18)23-28-22(25(30)29-23)24(26-16-19-8-4-2-5-9-19)27-17-20-10-6-3-7-11-20/h2-15,30H,16-17H2,1H3,(H,26,27)(H,28,29).
What are the key properties of N,N'-dibenzyl-4-hydroxy-2-(4-methylphenyl)-1H-imidazole-5-carboximidamide?
N,N'-dibenzyl-4-hydroxy-2-(4-methylphenyl)-1H-imidazole-5-carboximidamide has a molecular weight of 396.49 g/mol, XLogP of 4.83, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dibenzyl-4-hydroxy-2-(4-methylphenyl)-1H-imidazole-5-carboximidamide is sourced from PubChem (CID 3530553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).