2-(benzimidazol-1-yl)-N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]acetamide

C23H23N5O2 — CID 90490104

IUPAC2-(benzimidazol-1-yl)-N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]acetamide
SMILESO=C(Cn1cnc2ccccc21)NCc1nn(C2CCCC2)c(=O)c2ccccc12
InChIInChI=1S/C23H23N5O2/c29-22(14-27-15-25-19-11-5-6-12-21(19)27)24-13-20-17-9-3-4-10-18(17)23(30)28(26-20)16-7-1-2-8-16/h3-6,9-12,15-16H,1-2,7-8,13-14H2,(H,24,29)
InChIKeyABVHOESGNWRFIS-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.18
Rot. Bonds5

About 2-(benzimidazol-1-yl)-N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]acetamide

2-(benzimidazol-1-yl)-N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]acetamide (PubChem CID 90490104) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]acetamide
PubChem CID90490104
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name2-(benzimidazol-1-yl)-N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]acetamide
SMILESO=C(Cn1cnc2ccccc21)NCc1nn(C2CCCC2)c(=O)c2ccccc12
InChIInChI=1S/C23H23N5O2/c29-22(14-27-15-25-19-11-5-6-12-21(19)27)24-13-20-17-9-3-4-10-18(17)23(30)28(26-20)16-7-1-2-8-16/h3-6,9-12,15-16H,1-2,7-8,13-14H2,(H,24,29)
InChIKeyABVHOESGNWRFIS-UHFFFAOYSA-N
XLogP3.18
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(benzimidazol-1-yl)-N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]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-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]benzamide
CID 90490167
2-(4-chlorophenyl)-N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]acetamide
CID 90490236
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-(2-methylphenoxy)acetamide
CID 90490226
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-(2-fluorophenoxy)acetamide
CID 90490230
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-propylpentanamide
CID 90490148
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3,4,5-trimethoxybenzamide
CID 71779529
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-(4-nitrophenyl)acetamide
CID 90490237
1-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-(2-methoxyethyl)urea
CID 90490351
1-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-(4-methylphenyl)urea
CID 90490320
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide
CID 90490219
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 71779519
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-fluorobenzamide
CID 90490188

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]acetamide (CID 90490104) is 2-(benzimidazol-1-yl)-N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]acetamide is O=C(Cn1cnc2ccccc21)NCc1nn(C2CCCC2)c(=O)c2ccccc12.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]acetamide?
The InChIKey is ABVHOESGNWRFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c29-22(14-27-15-25-19-11-5-6-12-21(19)27)24-13-20-17-9-3-4-10-18(17)23(30)28(26-20)16-7-1-2-8-16/h3-6,9-12,15-16H,1-2,7-8,13-14H2,(H,24,29).
What are the key properties of 2-(benzimidazol-1-yl)-N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]acetamide?
2-(benzimidazol-1-yl)-N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]acetamide has a molecular weight of 401.47 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]acetamide is sourced from PubChem (CID 90490104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).