N-[5-(4-chlorophenyl)benzimidazolo[2,1-a]phthalazin-10-yl]-2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]acetamide

C36H22Cl2N6O2 — CID 3911125

IUPACN-[5-(4-chlorophenyl)benzimidazolo[2,1-a]phthalazin-10-yl]-2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]acetamide
SMILESO=C(Cn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O)Nc1ccc2c(c1)nc1c3ccccc3c(-c3ccc(Cl)cc3)nn21
InChIInChI=1S/C36H22Cl2N6O2/c37-23-13-9-21(10-14-23)33-27-6-2-4-8-29(27)36(46)43(41-33)20-32(45)39-25-17-18-31-30(19-25)40-35-28-7-3-1-5-26(28)34(42-44(31)35)22-11-15-24(38)16-12-22/h1-19H,20H2,(H,39,45)
InChIKeyPFLZVTIHVWNTHP-UHFFFAOYSA-N
MW641.52 g/mol
LogP8.03
Rot. Bonds5

About N-[5-(4-chlorophenyl)benzimidazolo[2,1-a]phthalazin-10-yl]-2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]acetamide

N-[5-(4-chlorophenyl)benzimidazolo[2,1-a]phthalazin-10-yl]-2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]acetamide (PubChem CID 3911125) has the molecular formula C36H22Cl2N6O2 and a molecular weight of 641.52 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)benzimidazolo[2,1-a]phthalazin-10-yl]-2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)benzimidazolo[2,1-a]phthalazin-10-yl]-2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]acetamide
PubChem CID3911125
Molecular FormulaC36H22Cl2N6O2
Molecular Weight641.52 g/mol
Exact Mass640.12
IUPAC NameN-[5-(4-chlorophenyl)benzimidazolo[2,1-a]phthalazin-10-yl]-2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]acetamide
SMILESO=C(Cn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O)Nc1ccc2c(c1)nc1c3ccccc3c(-c3ccc(Cl)cc3)nn21
InChIInChI=1S/C36H22Cl2N6O2/c37-23-13-9-21(10-14-23)33-27-6-2-4-8-29(27)36(46)43(41-33)20-32(45)39-25-17-18-31-30(19-25)40-35-28-7-3-1-5-26(28)34(42-44(31)35)22-11-15-24(38)16-12-22/h1-19H,20H2,(H,39,45)
InChIKeyPFLZVTIHVWNTHP-UHFFFAOYSA-N
XLogP8.03
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.52
LogP ≤ 58.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(4-chlorophenyl)benzimidazolo[2,1-a]phthalazin-10-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 23875435
N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 5008520
2-(4-methyl-1-oxophthalazin-2-yl)-N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]acetamide
CID 3348679
N-(3,4-dichlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 1417632
N-(3-chlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 1385157
2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N-(2-methylphenyl)acetamide
CID 1080053
2-(3,5-dimethylpyrazol-1-yl)-N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]acetamide
CID 5001238
2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N-(2-methoxyphenyl)acetamide
CID 1309611
2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-N-(4-methylphenyl)acetamide
CID 23854431
3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N-naphthalen-1-ylpropanamide
CID 3846453
N-(3-chloro-4-fluorophenyl)-2-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)acetamide
CID 18288671
N-(3-chlorophenyl)-2-[4-(3-nitrophenyl)-1-oxophthalazin-2-yl]acetamide
CID 1422902

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)benzimidazolo[2,1-a]phthalazin-10-yl]-2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]acetamide?
The IUPAC name of N-[5-(4-chlorophenyl)benzimidazolo[2,1-a]phthalazin-10-yl]-2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]acetamide (CID 3911125) is N-[5-(4-chlorophenyl)benzimidazolo[2,1-a]phthalazin-10-yl]-2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]acetamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)benzimidazolo[2,1-a]phthalazin-10-yl]-2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]acetamide?
The canonical SMILES for N-[5-(4-chlorophenyl)benzimidazolo[2,1-a]phthalazin-10-yl]-2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]acetamide is O=C(Cn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O)Nc1ccc2c(c1)nc1c3ccccc3c(-c3ccc(Cl)cc3)nn21.
What is the InChIKey of N-[5-(4-chlorophenyl)benzimidazolo[2,1-a]phthalazin-10-yl]-2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]acetamide?
The InChIKey is PFLZVTIHVWNTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22Cl2N6O2/c37-23-13-9-21(10-14-23)33-27-6-2-4-8-29(27)36(46)43(41-33)20-32(45)39-25-17-18-31-30(19-25)40-35-28-7-3-1-5-26(28)34(42-44(31)35)22-11-15-24(38)16-12-22/h1-19H,20H2,(H,39,45).
What are the key properties of N-[5-(4-chlorophenyl)benzimidazolo[2,1-a]phthalazin-10-yl]-2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]acetamide?
N-[5-(4-chlorophenyl)benzimidazolo[2,1-a]phthalazin-10-yl]-2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]acetamide has a molecular weight of 641.52 g/mol, XLogP of 8.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)benzimidazolo[2,1-a]phthalazin-10-yl]-2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]acetamide is sourced from PubChem (CID 3911125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).