3-[(3-aminopyrazol-1-yl)methyl]-N-[5-[2,5-dimethyl-4-(sulfanylmethyl)phenyl]-1-methylimidazol-2-yl]benzamide

C24H26N6OS — CID 155067609

IUPAC3-[(3-aminopyrazol-1-yl)methyl]-N-[5-[2,5-dimethyl-4-(sulfanylmethyl)phenyl]-1-methylimidazol-2-yl]benzamide
SMILESCc1cc(-c2cnc(NC(=O)c3cccc(Cn4ccc(N)n4)c3)n2C)c(C)cc1CS
InChIInChI=1S/C24H26N6OS/c1-15-10-20(16(2)9-19(15)14-32)21-12-26-24(29(21)3)27-23(31)18-6-4-5-17(11-18)13-30-8-7-22(25)28-30/h4-12,32H,13-14H2,1-3H3,(H2,25,28)(H,26,27,31)
InChIKeyJGNUWEFPUSSCCA-UHFFFAOYSA-N
MW446.58 g/mol
LogP4.21
Rot. Bonds6

About 3-[(3-aminopyrazol-1-yl)methyl]-N-[5-[2,5-dimethyl-4-(sulfanylmethyl)phenyl]-1-methylimidazol-2-yl]benzamide

3-[(3-aminopyrazol-1-yl)methyl]-N-[5-[2,5-dimethyl-4-(sulfanylmethyl)phenyl]-1-methylimidazol-2-yl]benzamide (PubChem CID 155067609) has the molecular formula C24H26N6OS and a molecular weight of 446.58 g/mol. Its IUPAC name is 3-[(3-aminopyrazol-1-yl)methyl]-N-[5-[2,5-dimethyl-4-(sulfanylmethyl)phenyl]-1-methylimidazol-2-yl]benzamide.

Molecular Properties

Compound Name3-[(3-aminopyrazol-1-yl)methyl]-N-[5-[2,5-dimethyl-4-(sulfanylmethyl)phenyl]-1-methylimidazol-2-yl]benzamide
PubChem CID155067609
Molecular FormulaC24H26N6OS
Molecular Weight446.58 g/mol
Exact Mass446.19
IUPAC Name3-[(3-aminopyrazol-1-yl)methyl]-N-[5-[2,5-dimethyl-4-(sulfanylmethyl)phenyl]-1-methylimidazol-2-yl]benzamide
SMILESCc1cc(-c2cnc(NC(=O)c3cccc(Cn4ccc(N)n4)c3)n2C)c(C)cc1CS
InChIInChI=1S/C24H26N6OS/c1-15-10-20(16(2)9-19(15)14-32)21-12-26-24(29(21)3)27-23(31)18-6-4-5-17(11-18)13-30-8-7-22(25)28-30/h4-12,32H,13-14H2,1-3H3,(H2,25,28)(H,26,27,31)
InChIKeyJGNUWEFPUSSCCA-UHFFFAOYSA-N
XLogP4.21
TPSA90.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.58
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 3-[(3-aminopyrazol-1-yl)methyl]-N-[5-[2,5-dimethyl-4-(sulfanylmethyl)phenyl]-1-methylimidazol-2-yl]benzamide 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

3-[[4-[2,5-dimethyl-4-[3-methyl-2-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]imidazol-4-yl]phenyl]pyrazol-1-yl]methyl]-N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]benzamide
CID 155067658
N-[1-propan-2-yl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-(pyrazol-1-ylmethyl)benzamide
CID 154681644
3-[[4-[2,5-dimethyl-4-[3-methyl-2-[(3-pyridin-3-yloxybenzoyl)amino]imidazol-4-yl]phenyl]pyrazol-1-yl]methyl]-N-[1-propan-2-yl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]benzamide
CID 155067659
N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-pyridin-3-yloxybenzamide
CID 154681643
N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-1,3-benzoxazole-5-carboxamide
CID 154681722
N-(1-methyl-5-phenylimidazol-2-yl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 154681674
3-[[acetyl(propyl)amino]methyl]-N-[5-(4-bromo-3-methylphenyl)-1-methylimidazol-2-yl]benzamide
CID 154681712
ethane;3-methyl-N-(1-methyl-5-phenylimidazol-2-yl)benzamide
CID 145409289
3-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400976
N-(1-benzylpyrazol-3-yl)-3-methylbenzamide
CID 19286119
4-bromo-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400841
4-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400896

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminopyrazol-1-yl)methyl]-N-[5-[2,5-dimethyl-4-(sulfanylmethyl)phenyl]-1-methylimidazol-2-yl]benzamide?
The IUPAC name of 3-[(3-aminopyrazol-1-yl)methyl]-N-[5-[2,5-dimethyl-4-(sulfanylmethyl)phenyl]-1-methylimidazol-2-yl]benzamide (CID 155067609) is 3-[(3-aminopyrazol-1-yl)methyl]-N-[5-[2,5-dimethyl-4-(sulfanylmethyl)phenyl]-1-methylimidazol-2-yl]benzamide.
What is the SMILES notation for 3-[(3-aminopyrazol-1-yl)methyl]-N-[5-[2,5-dimethyl-4-(sulfanylmethyl)phenyl]-1-methylimidazol-2-yl]benzamide?
The canonical SMILES for 3-[(3-aminopyrazol-1-yl)methyl]-N-[5-[2,5-dimethyl-4-(sulfanylmethyl)phenyl]-1-methylimidazol-2-yl]benzamide is Cc1cc(-c2cnc(NC(=O)c3cccc(Cn4ccc(N)n4)c3)n2C)c(C)cc1CS.
What is the InChIKey of 3-[(3-aminopyrazol-1-yl)methyl]-N-[5-[2,5-dimethyl-4-(sulfanylmethyl)phenyl]-1-methylimidazol-2-yl]benzamide?
The InChIKey is JGNUWEFPUSSCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6OS/c1-15-10-20(16(2)9-19(15)14-32)21-12-26-24(29(21)3)27-23(31)18-6-4-5-17(11-18)13-30-8-7-22(25)28-30/h4-12,32H,13-14H2,1-3H3,(H2,25,28)(H,26,27,31).
What are the key properties of 3-[(3-aminopyrazol-1-yl)methyl]-N-[5-[2,5-dimethyl-4-(sulfanylmethyl)phenyl]-1-methylimidazol-2-yl]benzamide?
3-[(3-aminopyrazol-1-yl)methyl]-N-[5-[2,5-dimethyl-4-(sulfanylmethyl)phenyl]-1-methylimidazol-2-yl]benzamide has a molecular weight of 446.58 g/mol, XLogP of 4.21, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminopyrazol-1-yl)methyl]-N-[5-[2,5-dimethyl-4-(sulfanylmethyl)phenyl]-1-methylimidazol-2-yl]benzamide is sourced from PubChem (CID 155067609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).