4-methyl-N-[1-(4-methylphenyl)benzimidazol-5-yl]phthalazin-1-amine

C23H19N5 — CID 1389797

IUPAC4-methyl-N-[1-(4-methylphenyl)benzimidazol-5-yl]phthalazin-1-amine
SMILESCc1ccc(-n2cnc3cc(Nc4nnc(C)c5ccccc45)ccc32)cc1
InChIInChI=1S/C23H19N5/c1-15-7-10-18(11-8-15)28-14-24-21-13-17(9-12-22(21)28)25-23-20-6-4-3-5-19(20)16(2)26-27-23/h3-14H,1-2H3,(H,25,27)
InChIKeyUXDTXEPREVLYIY-UHFFFAOYSA-N
MW365.44 g/mol
LogP5.33
Rot. Bonds3

About 4-methyl-N-[1-(4-methylphenyl)benzimidazol-5-yl]phthalazin-1-amine

4-methyl-N-[1-(4-methylphenyl)benzimidazol-5-yl]phthalazin-1-amine (PubChem CID 1389797) has the molecular formula C23H19N5 and a molecular weight of 365.44 g/mol. Its IUPAC name is 4-methyl-N-[1-(4-methylphenyl)benzimidazol-5-yl]phthalazin-1-amine.

Molecular Properties

Compound Name4-methyl-N-[1-(4-methylphenyl)benzimidazol-5-yl]phthalazin-1-amine
PubChem CID1389797
Molecular FormulaC23H19N5
Molecular Weight365.44 g/mol
Exact Mass365.16
IUPAC Name4-methyl-N-[1-(4-methylphenyl)benzimidazol-5-yl]phthalazin-1-amine
SMILESCc1ccc(-n2cnc3cc(Nc4nnc(C)c5ccccc45)ccc32)cc1
InChIInChI=1S/C23H19N5/c1-15-7-10-18(11-8-15)28-14-24-21-13-17(9-12-22(21)28)25-23-20-6-4-3-5-19(20)16(2)26-27-23/h3-14H,1-2H3,(H,25,27)
InChIKeyUXDTXEPREVLYIY-UHFFFAOYSA-N
XLogP5.33
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.44
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(4-methylphenyl)benzimidazol-5-yl]phthalazin-1-amine?
The IUPAC name of 4-methyl-N-[1-(4-methylphenyl)benzimidazol-5-yl]phthalazin-1-amine (CID 1389797) is 4-methyl-N-[1-(4-methylphenyl)benzimidazol-5-yl]phthalazin-1-amine.
What is the SMILES notation for 4-methyl-N-[1-(4-methylphenyl)benzimidazol-5-yl]phthalazin-1-amine?
The canonical SMILES for 4-methyl-N-[1-(4-methylphenyl)benzimidazol-5-yl]phthalazin-1-amine is Cc1ccc(-n2cnc3cc(Nc4nnc(C)c5ccccc45)ccc32)cc1.
What is the InChIKey of 4-methyl-N-[1-(4-methylphenyl)benzimidazol-5-yl]phthalazin-1-amine?
The InChIKey is UXDTXEPREVLYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5/c1-15-7-10-18(11-8-15)28-14-24-21-13-17(9-12-22(21)28)25-23-20-6-4-3-5-19(20)16(2)26-27-23/h3-14H,1-2H3,(H,25,27).
What are the key properties of 4-methyl-N-[1-(4-methylphenyl)benzimidazol-5-yl]phthalazin-1-amine?
4-methyl-N-[1-(4-methylphenyl)benzimidazol-5-yl]phthalazin-1-amine has a molecular weight of 365.44 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(4-methylphenyl)benzimidazol-5-yl]phthalazin-1-amine is sourced from PubChem (CID 1389797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).