N-(1,2-dimethylbenzimidazol-5-yl)-4-(4-methylphenyl)phthalazin-1-amine

C24H21N5 — CID 1419318

IUPACN-(1,2-dimethylbenzimidazol-5-yl)-4-(4-methylphenyl)phthalazin-1-amine
SMILESCc1ccc(-c2nnc(Nc3ccc4c(c3)nc(C)n4C)c3ccccc23)cc1
InChIInChI=1S/C24H21N5/c1-15-8-10-17(11-9-15)23-19-6-4-5-7-20(19)24(28-27-23)26-18-12-13-22-21(14-18)25-16(2)29(22)3/h4-14H,1-3H3,(H,26,28)
InChIKeyVJZNUZOZNRBSPT-UHFFFAOYSA-N
MW379.47 g/mol
LogP5.54
Rot. Bonds3

About N-(1,2-dimethylbenzimidazol-5-yl)-4-(4-methylphenyl)phthalazin-1-amine

N-(1,2-dimethylbenzimidazol-5-yl)-4-(4-methylphenyl)phthalazin-1-amine (PubChem CID 1419318) has the molecular formula C24H21N5 and a molecular weight of 379.47 g/mol. Its IUPAC name is N-(1,2-dimethylbenzimidazol-5-yl)-4-(4-methylphenyl)phthalazin-1-amine.

Molecular Properties

Compound NameN-(1,2-dimethylbenzimidazol-5-yl)-4-(4-methylphenyl)phthalazin-1-amine
PubChem CID1419318
Molecular FormulaC24H21N5
Molecular Weight379.47 g/mol
Exact Mass379.18
IUPAC NameN-(1,2-dimethylbenzimidazol-5-yl)-4-(4-methylphenyl)phthalazin-1-amine
SMILESCc1ccc(-c2nnc(Nc3ccc4c(c3)nc(C)n4C)c3ccccc23)cc1
InChIInChI=1S/C24H21N5/c1-15-8-10-17(11-9-15)23-19-6-4-5-7-20(19)24(28-27-23)26-18-12-13-22-21(14-18)25-16(2)29(22)3/h4-14H,1-3H3,(H,26,28)
InChIKeyVJZNUZOZNRBSPT-UHFFFAOYSA-N
XLogP5.54
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.47
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-dimethylbenzimidazol-5-yl)-4-(4-methylphenyl)phthalazin-1-amine?
The IUPAC name of N-(1,2-dimethylbenzimidazol-5-yl)-4-(4-methylphenyl)phthalazin-1-amine (CID 1419318) is N-(1,2-dimethylbenzimidazol-5-yl)-4-(4-methylphenyl)phthalazin-1-amine.
What is the SMILES notation for N-(1,2-dimethylbenzimidazol-5-yl)-4-(4-methylphenyl)phthalazin-1-amine?
The canonical SMILES for N-(1,2-dimethylbenzimidazol-5-yl)-4-(4-methylphenyl)phthalazin-1-amine is Cc1ccc(-c2nnc(Nc3ccc4c(c3)nc(C)n4C)c3ccccc23)cc1.
What is the InChIKey of N-(1,2-dimethylbenzimidazol-5-yl)-4-(4-methylphenyl)phthalazin-1-amine?
The InChIKey is VJZNUZOZNRBSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5/c1-15-8-10-17(11-9-15)23-19-6-4-5-7-20(19)24(28-27-23)26-18-12-13-22-21(14-18)25-16(2)29(22)3/h4-14H,1-3H3,(H,26,28).
What are the key properties of N-(1,2-dimethylbenzimidazol-5-yl)-4-(4-methylphenyl)phthalazin-1-amine?
N-(1,2-dimethylbenzimidazol-5-yl)-4-(4-methylphenyl)phthalazin-1-amine has a molecular weight of 379.47 g/mol, XLogP of 5.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dimethylbenzimidazol-5-yl)-4-(4-methylphenyl)phthalazin-1-amine is sourced from PubChem (CID 1419318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).