1-(5,6-dimethylbenzimidazol-1-yl)-4-phenylphthalazine

C23H18N4 — CID 6403190

IUPAC1-(5,6-dimethylbenzimidazol-1-yl)-4-phenylphthalazine
SMILESCc1cc2ncn(-c3nnc(-c4ccccc4)c4ccccc34)c2cc1C
InChIInChI=1S/C23H18N4/c1-15-12-20-21(13-16(15)2)27(14-24-20)23-19-11-7-6-10-18(19)22(25-26-23)17-8-4-3-5-9-17/h3-14H,1-2H3
InChIKeyCCNYJTGXWAMCCY-UHFFFAOYSA-N
MW350.43 g/mol
LogP5.25
Rot. Bonds2

About 1-(5,6-dimethylbenzimidazol-1-yl)-4-phenylphthalazine

1-(5,6-dimethylbenzimidazol-1-yl)-4-phenylphthalazine (PubChem CID 6403190) has the molecular formula C23H18N4 and a molecular weight of 350.43 g/mol. Its IUPAC name is 1-(5,6-dimethylbenzimidazol-1-yl)-4-phenylphthalazine.

Molecular Properties

Compound Name1-(5,6-dimethylbenzimidazol-1-yl)-4-phenylphthalazine
PubChem CID6403190
Molecular FormulaC23H18N4
Molecular Weight350.43 g/mol
Exact Mass350.15
IUPAC Name1-(5,6-dimethylbenzimidazol-1-yl)-4-phenylphthalazine
SMILESCc1cc2ncn(-c3nnc(-c4ccccc4)c4ccccc34)c2cc1C
InChIInChI=1S/C23H18N4/c1-15-12-20-21(13-16(15)2)27(14-24-20)23-19-11-7-6-10-18(19)22(25-26-23)17-8-4-3-5-9-17/h3-14H,1-2H3
InChIKeyCCNYJTGXWAMCCY-UHFFFAOYSA-N
XLogP5.25
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.43
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

FK-739
CID 23668568
Pyridazino(4,3-c)isoquinoline, 3-phenyl-6-(1-pyrrolidinyl)-
CID 13526627
2-Phenylimidazo[2,1-a]phthalazin-6-amine
CID 3765310
Methyl[2-({12-methyl-11,14,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-1,3,5,7,9,12,14,16-octaen-16-yl}amino)ethyl]amine
CID 9796523
N,12-dimethyl-12,14,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-1,3,5,7,9,11(15),13,16-octaen-16-amine
CID 9813880
12-methyl-N-[2-(piperidin-1-yl)ethyl]-11,14,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-1,3,5,7,9,12,14,16-octaen-16-amine
CID 10109125
N,12-dimethyl-11,14,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-1,3,5,7,9,12,14,16-octaen-16-amine
CID 16663529
4-[6-[4-(4-Methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 60182364
7-(5,6-Dimethyl-2-pyridin-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine
CID 56595784
3-(6-Quinolylmethyl)-6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 57405871
1-Methyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 399097
5-Methylbenzimidazolo[2,1-a]phthalazine
CID 650521

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethylbenzimidazol-1-yl)-4-phenylphthalazine?
The IUPAC name of 1-(5,6-dimethylbenzimidazol-1-yl)-4-phenylphthalazine (CID 6403190) is 1-(5,6-dimethylbenzimidazol-1-yl)-4-phenylphthalazine.
What is the SMILES notation for 1-(5,6-dimethylbenzimidazol-1-yl)-4-phenylphthalazine?
The canonical SMILES for 1-(5,6-dimethylbenzimidazol-1-yl)-4-phenylphthalazine is Cc1cc2ncn(-c3nnc(-c4ccccc4)c4ccccc34)c2cc1C.
What is the InChIKey of 1-(5,6-dimethylbenzimidazol-1-yl)-4-phenylphthalazine?
The InChIKey is CCNYJTGXWAMCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4/c1-15-12-20-21(13-16(15)2)27(14-24-20)23-19-11-7-6-10-18(19)22(25-26-23)17-8-4-3-5-9-17/h3-14H,1-2H3.
What are the key properties of 1-(5,6-dimethylbenzimidazol-1-yl)-4-phenylphthalazine?
1-(5,6-dimethylbenzimidazol-1-yl)-4-phenylphthalazine has a molecular weight of 350.43 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethylbenzimidazol-1-yl)-4-phenylphthalazine is sourced from PubChem (CID 6403190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).