4-(4-methoxyphenyl)-N-(1-methylbenzimidazol-5-yl)phthalazin-1-amine

C23H19N5O — CID 1417554

IUPAC4-(4-methoxyphenyl)-N-(1-methylbenzimidazol-5-yl)phthalazin-1-amine
SMILESCOc1ccc(-c2nnc(Nc3ccc4c(c3)ncn4C)c3ccccc23)cc1
InChIInChI=1S/C23H19N5O/c1-28-14-24-20-13-16(9-12-21(20)28)25-23-19-6-4-3-5-18(19)22(26-27-23)15-7-10-17(29-2)11-8-15/h3-14H,1-2H3,(H,25,27)
InChIKeyMDHPFFQTWOECOZ-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.94
Rot. Bonds4

About 4-(4-methoxyphenyl)-N-(1-methylbenzimidazol-5-yl)phthalazin-1-amine

4-(4-methoxyphenyl)-N-(1-methylbenzimidazol-5-yl)phthalazin-1-amine (PubChem CID 1417554) has the molecular formula C23H19N5O and a molecular weight of 381.44 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-(1-methylbenzimidazol-5-yl)phthalazin-1-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-(1-methylbenzimidazol-5-yl)phthalazin-1-amine
PubChem CID1417554
Molecular FormulaC23H19N5O
Molecular Weight381.44 g/mol
Exact Mass381.16
IUPAC Name4-(4-methoxyphenyl)-N-(1-methylbenzimidazol-5-yl)phthalazin-1-amine
SMILESCOc1ccc(-c2nnc(Nc3ccc4c(c3)ncn4C)c3ccccc23)cc1
InChIInChI=1S/C23H19N5O/c1-28-14-24-20-13-16(9-12-21(20)28)25-23-19-6-4-3-5-18(19)22(26-27-23)15-7-10-17(29-2)11-8-15/h3-14H,1-2H3,(H,25,27)
InChIKeyMDHPFFQTWOECOZ-UHFFFAOYSA-N
XLogP4.94
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(4-methoxyphenyl)-N-(1-methylbenzimidazol-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 4-(4-methoxyphenyl)-N-(1-methylbenzimidazol-5-yl)phthalazin-1-amine?
The IUPAC name of 4-(4-methoxyphenyl)-N-(1-methylbenzimidazol-5-yl)phthalazin-1-amine (CID 1417554) is 4-(4-methoxyphenyl)-N-(1-methylbenzimidazol-5-yl)phthalazin-1-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-(1-methylbenzimidazol-5-yl)phthalazin-1-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-N-(1-methylbenzimidazol-5-yl)phthalazin-1-amine is COc1ccc(-c2nnc(Nc3ccc4c(c3)ncn4C)c3ccccc23)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-(1-methylbenzimidazol-5-yl)phthalazin-1-amine?
The InChIKey is MDHPFFQTWOECOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O/c1-28-14-24-20-13-16(9-12-21(20)28)25-23-19-6-4-3-5-18(19)22(26-27-23)15-7-10-17(29-2)11-8-15/h3-14H,1-2H3,(H,25,27).
What are the key properties of 4-(4-methoxyphenyl)-N-(1-methylbenzimidazol-5-yl)phthalazin-1-amine?
4-(4-methoxyphenyl)-N-(1-methylbenzimidazol-5-yl)phthalazin-1-amine has a molecular weight of 381.44 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-(1-methylbenzimidazol-5-yl)phthalazin-1-amine is sourced from PubChem (CID 1417554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).