2-(3,5-dimethylpyrazol-1-yl)-N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]acetamide

C28H24N6O — CID 5001238

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]acetamide
SMILESCc1ccc(-c2nn3c4cc(NC(=O)Cn5nc(C)cc5C)ccc4nc3c3ccccc23)cc1
InChIInChI=1S/C28H24N6O/c1-17-8-10-20(11-9-17)27-22-6-4-5-7-23(22)28-30-24-13-12-21(15-25(24)34(28)32-27)29-26(35)16-33-19(3)14-18(2)31-33/h4-15H,16H2,1-3H3,(H,29,35)
InChIKeySXEGXSPYMNHCFN-UHFFFAOYSA-N
MW460.54 g/mol
LogP5.46
Rot. Bonds4

About 2-(3,5-dimethylpyrazol-1-yl)-N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]acetamide

2-(3,5-dimethylpyrazol-1-yl)-N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]acetamide (PubChem CID 5001238) has the molecular formula C28H24N6O and a molecular weight of 460.54 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]acetamide
PubChem CID5001238
Molecular FormulaC28H24N6O
Molecular Weight460.54 g/mol
Exact Mass460.20
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]acetamide
SMILESCc1ccc(-c2nn3c4cc(NC(=O)Cn5nc(C)cc5C)ccc4nc3c3ccccc23)cc1
InChIInChI=1S/C28H24N6O/c1-17-8-10-20(11-9-17)27-22-6-4-5-7-23(22)28-30-24-13-12-21(15-25(24)34(28)32-27)29-26(35)16-33-19(3)14-18(2)31-33/h4-15H,16H2,1-3H3,(H,29,35)
InChIKeySXEGXSPYMNHCFN-UHFFFAOYSA-N
XLogP5.46
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.54
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3,5-dimethylpyrazol-1-yl)-N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]acetamide 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

N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 5008520
N-[5-(4-chlorophenyl)benzimidazolo[2,1-a]phthalazin-10-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 23875435
2-(4-methyl-1-oxophthalazin-2-yl)-N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]acetamide
CID 3348679
2-chloro-N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]benzamide
CID 3313976
N-[5-(4-chlorophenyl)benzimidazolo[2,1-a]phthalazin-10-yl]-2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]acetamide
CID 3911125
N-(3,4-dichlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 1417632
3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzoic acid
CID 43431779
2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-N-(4-methylphenyl)acetamide
CID 23854431
N-(3-chlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 1385157
4-[4-[[5-(4-chlorophenyl)benzimidazolo[2,1-a]phthalazin-9-yl]amino]phthalazin-1-yl]benzamide
CID 3422996
N-(4-methylphenyl)-2-(8-methyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetamide
CID 20952230
N-(4-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 27285546

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]acetamide (CID 5001238) is 2-(3,5-dimethylpyrazol-1-yl)-N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]acetamide is Cc1ccc(-c2nn3c4cc(NC(=O)Cn5nc(C)cc5C)ccc4nc3c3ccccc23)cc1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]acetamide?
The InChIKey is SXEGXSPYMNHCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O/c1-17-8-10-20(11-9-17)27-22-6-4-5-7-23(22)28-30-24-13-12-21(15-25(24)34(28)32-27)29-26(35)16-33-19(3)14-18(2)31-33/h4-15H,16H2,1-3H3,(H,29,35).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]acetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]acetamide has a molecular weight of 460.54 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]acetamide is sourced from PubChem (CID 5001238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).