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

C22H17N5O — CID 58512880

IUPACN-[1-(3-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine
SMILESCOc1cccc(-n2cnc3cc(Nc4nncc5ccccc45)ccc32)c1
InChIInChI=1S/C22H17N5O/c1-28-18-7-4-6-17(12-18)27-14-23-20-11-16(9-10-21(20)27)25-22-19-8-3-2-5-15(19)13-24-26-22/h2-14H,1H3,(H,25,26)
InChIKeyQMILBXAOLKZFOY-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.72
Rot. Bonds4

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

N-[1-(3-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine (PubChem CID 58512880) has the molecular formula C22H17N5O and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine
PubChem CID58512880
Molecular FormulaC22H17N5O
Molecular Weight367.41 g/mol
Exact Mass367.14
IUPAC NameN-[1-(3-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine
SMILESCOc1cccc(-n2cnc3cc(Nc4nncc5ccccc45)ccc32)c1
InChIInChI=1S/C22H17N5O/c1-28-18-7-4-6-17(12-18)27-14-23-20-11-16(9-10-21(20)27)25-22-19-8-3-2-5-15(19)13-24-26-22/h2-14H,1H3,(H,25,26)
InChIKeyQMILBXAOLKZFOY-UHFFFAOYSA-N
XLogP4.72
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(3-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine?
The IUPAC name of N-[1-(3-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine (CID 58512880) is N-[1-(3-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine.
What is the SMILES notation for N-[1-(3-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine?
The canonical SMILES for N-[1-(3-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine is COc1cccc(-n2cnc3cc(Nc4nncc5ccccc45)ccc32)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine?
The InChIKey is QMILBXAOLKZFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O/c1-28-18-7-4-6-17(12-18)27-14-23-20-11-16(9-10-21(20)27)25-22-19-8-3-2-5-15(19)13-24-26-22/h2-14H,1H3,(H,25,26).
What are the key properties of N-[1-(3-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine?
N-[1-(3-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine has a molecular weight of 367.41 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine is sourced from PubChem (CID 58512880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).