4-methoxy-N-[1-(3-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine

C23H19N5O2 — CID 45138614

IUPAC4-methoxy-N-[1-(3-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine
SMILESCOc1cccc(-n2cnc3cc(Nc4nnc(OC)c5ccccc45)ccc32)c1
InChIInChI=1S/C23H19N5O2/c1-29-17-7-5-6-16(13-17)28-14-24-20-12-15(10-11-21(20)28)25-22-18-8-3-4-9-19(18)23(30-2)27-26-22/h3-14H,1-2H3,(H,25,26)
InChIKeyTVVSRDGRIAZHRP-UHFFFAOYSA-N
MW397.44 g/mol
LogP4.73
Rot. Bonds5

About 4-methoxy-N-[1-(3-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine

4-methoxy-N-[1-(3-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine (PubChem CID 45138614) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 4-methoxy-N-[1-(3-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine.

Molecular Properties

Compound Name4-methoxy-N-[1-(3-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine
PubChem CID45138614
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC Name4-methoxy-N-[1-(3-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine
SMILESCOc1cccc(-n2cnc3cc(Nc4nnc(OC)c5ccccc45)ccc32)c1
InChIInChI=1S/C23H19N5O2/c1-29-17-7-5-6-16(13-17)28-14-24-20-12-15(10-11-21(20)28)25-22-18-8-3-4-9-19(18)23(30-2)27-26-22/h3-14H,1-2H3,(H,25,26)
InChIKeyTVVSRDGRIAZHRP-UHFFFAOYSA-N
XLogP4.73
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-(3-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine?
The IUPAC name of 4-methoxy-N-[1-(3-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine (CID 45138614) is 4-methoxy-N-[1-(3-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine.
What is the SMILES notation for 4-methoxy-N-[1-(3-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine?
The canonical SMILES for 4-methoxy-N-[1-(3-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine is COc1cccc(-n2cnc3cc(Nc4nnc(OC)c5ccccc45)ccc32)c1.
What is the InChIKey of 4-methoxy-N-[1-(3-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine?
The InChIKey is TVVSRDGRIAZHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c1-29-17-7-5-6-16(13-17)28-14-24-20-12-15(10-11-21(20)28)25-22-18-8-3-4-9-19(18)23(30-2)27-26-22/h3-14H,1-2H3,(H,25,26).
What are the key properties of 4-methoxy-N-[1-(3-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine?
4-methoxy-N-[1-(3-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine has a molecular weight of 397.44 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-(3-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine is sourced from PubChem (CID 45138614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).