N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-4-methylphthalazin-1-amine

C23H19N5O — CID 2887907

IUPACN-[1-(4-methoxyphenyl)benzimidazol-5-yl]-4-methylphthalazin-1-amine
SMILESCOc1ccc(-n2cnc3cc(Nc4nnc(C)c5ccccc45)ccc32)cc1
InChIInChI=1S/C23H19N5O/c1-15-19-5-3-4-6-20(19)23(27-26-15)25-16-7-12-22-21(13-16)24-14-28(22)17-8-10-18(29-2)11-9-17/h3-14H,1-2H3,(H,25,27)
InChIKeyFULOWBRTKRPEJM-UHFFFAOYSA-N
MW381.44 g/mol
LogP5.03
Rot. Bonds4

About N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-4-methylphthalazin-1-amine

N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-4-methylphthalazin-1-amine (PubChem CID 2887907) has the molecular formula C23H19N5O and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-4-methylphthalazin-1-amine.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)benzimidazol-5-yl]-4-methylphthalazin-1-amine
PubChem CID2887907
Molecular FormulaC23H19N5O
Molecular Weight381.44 g/mol
Exact Mass381.16
IUPAC NameN-[1-(4-methoxyphenyl)benzimidazol-5-yl]-4-methylphthalazin-1-amine
SMILESCOc1ccc(-n2cnc3cc(Nc4nnc(C)c5ccccc45)ccc32)cc1
InChIInChI=1S/C23H19N5O/c1-15-19-5-3-4-6-20(19)23(27-26-15)25-16-7-12-22-21(13-16)24-14-28(22)17-8-10-18(29-2)11-9-17/h3-14H,1-2H3,(H,25,27)
InChIKeyFULOWBRTKRPEJM-UHFFFAOYSA-N
XLogP5.03
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.44
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-4-methylphthalazin-1-amine?
The IUPAC name of N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-4-methylphthalazin-1-amine (CID 2887907) is N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-4-methylphthalazin-1-amine.
What is the SMILES notation for N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-4-methylphthalazin-1-amine?
The canonical SMILES for N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-4-methylphthalazin-1-amine is COc1ccc(-n2cnc3cc(Nc4nnc(C)c5ccccc45)ccc32)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-4-methylphthalazin-1-amine?
The InChIKey is FULOWBRTKRPEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O/c1-15-19-5-3-4-6-20(19)23(27-26-15)25-16-7-12-22-21(13-16)24-14-28(22)17-8-10-18(29-2)11-9-17/h3-14H,1-2H3,(H,25,27).
What are the key properties of N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-4-methylphthalazin-1-amine?
N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-4-methylphthalazin-1-amine has a molecular weight of 381.44 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-4-methylphthalazin-1-amine is sourced from PubChem (CID 2887907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).