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

C23H19N5 — CID 6403897

IUPACN-(1,2-dimethylbenzimidazol-5-yl)-4-phenylphthalazin-1-amine
SMILESCc1nc2cc(Nc3nnc(-c4ccccc4)c4ccccc34)ccc2n1C
InChIInChI=1S/C23H19N5/c1-15-24-20-14-17(12-13-21(20)28(15)2)25-23-19-11-7-6-10-18(19)22(26-27-23)16-8-4-3-5-9-16/h3-14H,1-2H3,(H,25,27)
InChIKeyXHGRJIRGPOOTHG-UHFFFAOYSA-N
MW365.44 g/mol
LogP5.24
Rot. Bonds3

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

N-(1,2-dimethylbenzimidazol-5-yl)-4-phenylphthalazin-1-amine (PubChem CID 6403897) has the molecular formula C23H19N5 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-(1,2-dimethylbenzimidazol-5-yl)-4-phenylphthalazin-1-amine.

Molecular Properties

Compound NameN-(1,2-dimethylbenzimidazol-5-yl)-4-phenylphthalazin-1-amine
PubChem CID6403897
Molecular FormulaC23H19N5
Molecular Weight365.44 g/mol
Exact Mass365.16
IUPAC NameN-(1,2-dimethylbenzimidazol-5-yl)-4-phenylphthalazin-1-amine
SMILESCc1nc2cc(Nc3nnc(-c4ccccc4)c4ccccc34)ccc2n1C
InChIInChI=1S/C23H19N5/c1-15-24-20-14-17(12-13-21(20)28(15)2)25-23-19-11-7-6-10-18(19)22(26-27-23)16-8-4-3-5-9-16/h3-14H,1-2H3,(H,25,27)
InChIKeyXHGRJIRGPOOTHG-UHFFFAOYSA-N
XLogP5.24
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.44
LogP ≤ 55.24
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-phenylphthalazin-1-amine?
The IUPAC name of N-(1,2-dimethylbenzimidazol-5-yl)-4-phenylphthalazin-1-amine (CID 6403897) is N-(1,2-dimethylbenzimidazol-5-yl)-4-phenylphthalazin-1-amine.
What is the SMILES notation for N-(1,2-dimethylbenzimidazol-5-yl)-4-phenylphthalazin-1-amine?
The canonical SMILES for N-(1,2-dimethylbenzimidazol-5-yl)-4-phenylphthalazin-1-amine is Cc1nc2cc(Nc3nnc(-c4ccccc4)c4ccccc34)ccc2n1C.
What is the InChIKey of N-(1,2-dimethylbenzimidazol-5-yl)-4-phenylphthalazin-1-amine?
The InChIKey is XHGRJIRGPOOTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5/c1-15-24-20-14-17(12-13-21(20)28(15)2)25-23-19-11-7-6-10-18(19)22(26-27-23)16-8-4-3-5-9-16/h3-14H,1-2H3,(H,25,27).
What are the key properties of N-(1,2-dimethylbenzimidazol-5-yl)-4-phenylphthalazin-1-amine?
N-(1,2-dimethylbenzimidazol-5-yl)-4-phenylphthalazin-1-amine has a molecular weight of 365.44 g/mol, XLogP of 5.24, 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-phenylphthalazin-1-amine is sourced from PubChem (CID 6403897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).