2-(4-phenylphenyl)imidazo[2,1-a]phthalazine

C22H15N3 — CID 101219543

IUPAC2-(4-phenylphenyl)imidazo[2,1-a]phthalazine
SMILESc1ccc(-c2ccc(-c3cn4ncc5ccccc5c4n3)cc2)cc1
InChIInChI=1S/C22H15N3/c1-2-6-16(7-3-1)17-10-12-18(13-11-17)21-15-25-22(24-21)20-9-5-4-8-19(20)14-23-25/h1-15H
InChIKeySODJMGJLQCBGKA-UHFFFAOYSA-N
MW321.38 g/mol
LogP5.22
Rot. Bonds2

About 2-(4-phenylphenyl)imidazo[2,1-a]phthalazine

2-(4-phenylphenyl)imidazo[2,1-a]phthalazine (PubChem CID 101219543) has the molecular formula C22H15N3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(4-phenylphenyl)imidazo[2,1-a]phthalazine.

Molecular Properties

Compound Name2-(4-phenylphenyl)imidazo[2,1-a]phthalazine
PubChem CID101219543
Molecular FormulaC22H15N3
Molecular Weight321.38 g/mol
Exact Mass321.13
IUPAC Name2-(4-phenylphenyl)imidazo[2,1-a]phthalazine
SMILESc1ccc(-c2ccc(-c3cn4ncc5ccccc5c4n3)cc2)cc1
InChIInChI=1S/C22H15N3/c1-2-6-16(7-3-1)17-10-12-18(13-11-17)21-15-25-22(24-21)20-9-5-4-8-19(20)14-23-25/h1-15H
InChIKeySODJMGJLQCBGKA-UHFFFAOYSA-N
XLogP5.22
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.38
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-phenylphenyl)phthalazin-1-one
CID 71501176
benzene;ethane;3-methyl-5-phenylpyrazolo[1,5-a]pyrimidine
CID 161288697
6-chloro-2-(4-phenylphenyl)imidazo[1,2-b]pyridazine
CID 15032578
8-phenyl-2-[4-[10-[4-(8-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine
CID 89089682
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(3-phenylphenyl)imidazo[1,2-c]quinazoline
CID 167285790
6-phenyl-2-[4-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine
CID 89089695
2-(4-phenylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 3697667
2,6-diphenyl-4-[4-(12-phenylchrysen-6-yl)phenyl]pyridine
CID 155655416
2-(4-phenylphenyl)benzo[f]quinoxaline
CID 164807898
5-methyl-2-phenylimidazo[1,2-a]pyridine
CID 735395
3-(4-phenylphenyl)phenanthro[9,10-c]pyridine
CID 59575272
2-methyl-6-(4-phenylphenyl)pyrazine
CID 144588852

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)imidazo[2,1-a]phthalazine?
The IUPAC name of 2-(4-phenylphenyl)imidazo[2,1-a]phthalazine (CID 101219543) is 2-(4-phenylphenyl)imidazo[2,1-a]phthalazine.
What is the SMILES notation for 2-(4-phenylphenyl)imidazo[2,1-a]phthalazine?
The canonical SMILES for 2-(4-phenylphenyl)imidazo[2,1-a]phthalazine is c1ccc(-c2ccc(-c3cn4ncc5ccccc5c4n3)cc2)cc1.
What is the InChIKey of 2-(4-phenylphenyl)imidazo[2,1-a]phthalazine?
The InChIKey is SODJMGJLQCBGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3/c1-2-6-16(7-3-1)17-10-12-18(13-11-17)21-15-25-22(24-21)20-9-5-4-8-19(20)14-23-25/h1-15H.
What are the key properties of 2-(4-phenylphenyl)imidazo[2,1-a]phthalazine?
2-(4-phenylphenyl)imidazo[2,1-a]phthalazine has a molecular weight of 321.38 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)imidazo[2,1-a]phthalazine is sourced from PubChem (CID 101219543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).