2-chloro-N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]benzamide

C28H19ClN4O — CID 3313976

IUPAC2-chloro-N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]benzamide
SMILESCc1ccc(-c2nn3c4cc(NC(=O)c5ccccc5Cl)ccc4nc3c3ccccc23)cc1
InChIInChI=1S/C28H19ClN4O/c1-17-10-12-18(13-11-17)26-20-6-2-3-7-21(20)27-31-24-15-14-19(16-25(24)33(27)32-26)30-28(34)22-8-4-5-9-23(22)29/h2-16H,1H3,(H,30,34)
InChIKeyYUFZYIGGWNCSQR-UHFFFAOYSA-N
MW462.94 g/mol
LogP6.92
Rot. Bonds3

About 2-chloro-N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]benzamide

2-chloro-N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]benzamide (PubChem CID 3313976) has the molecular formula C28H19ClN4O and a molecular weight of 462.94 g/mol. Its IUPAC name is 2-chloro-N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]benzamide
PubChem CID3313976
Molecular FormulaC28H19ClN4O
Molecular Weight462.94 g/mol
Exact Mass462.12
IUPAC Name2-chloro-N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]benzamide
SMILESCc1ccc(-c2nn3c4cc(NC(=O)c5ccccc5Cl)ccc4nc3c3ccccc23)cc1
InChIInChI=1S/C28H19ClN4O/c1-17-10-12-18(13-11-17)26-20-6-2-3-7-21(20)27-31-24-15-14-19(16-25(24)33(27)32-26)30-28(34)22-8-4-5-9-23(22)29/h2-16H,1H3,(H,30,34)
InChIKeyYUFZYIGGWNCSQR-UHFFFAOYSA-N
XLogP6.92
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.94
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 5008520
2-(3,5-dimethylpyrazol-1-yl)-N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]acetamide
CID 5001238
2-(4-methyl-1-oxophthalazin-2-yl)-N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]acetamide
CID 3348679
N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]benzenesulfonamide
CID 4091693
4-[4-[[5-(4-chlorophenyl)benzimidazolo[2,1-a]phthalazin-9-yl]amino]phthalazin-1-yl]benzamide
CID 3422996
2-chloro-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 46268011
N-[5-(4-chlorophenyl)benzimidazolo[2,1-a]phthalazin-10-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 23875435
2-methoxy-N-(5-methylbenzimidazolo[2,1-a]phthalazin-10-yl)benzamide
CID 5155441
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)-6-methyl-2-phenylquinoline-4-carboxamide
CID 3131018
2-chloro-N-[4-[5-(4-methylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]phenyl]benzamide
CID 4073327
N-(3,4-dichlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 1417632

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]benzamide?
The IUPAC name of 2-chloro-N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]benzamide (CID 3313976) is 2-chloro-N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]benzamide?
The canonical SMILES for 2-chloro-N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]benzamide is Cc1ccc(-c2nn3c4cc(NC(=O)c5ccccc5Cl)ccc4nc3c3ccccc23)cc1.
What is the InChIKey of 2-chloro-N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]benzamide?
The InChIKey is YUFZYIGGWNCSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19ClN4O/c1-17-10-12-18(13-11-17)26-20-6-2-3-7-21(20)27-31-24-15-14-19(16-25(24)33(27)32-26)30-28(34)22-8-4-5-9-23(22)29/h2-16H,1H3,(H,30,34).
What are the key properties of 2-chloro-N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]benzamide?
2-chloro-N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]benzamide has a molecular weight of 462.94 g/mol, XLogP of 6.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazin-9-yl]benzamide is sourced from PubChem (CID 3313976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).