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

C18H16N4 — CID 6403503

IUPAC1-(5,6-dimethylbenzimidazol-1-yl)-4-methylphthalazine
SMILESCc1cc2ncn(-c3nnc(C)c4ccccc34)c2cc1C
InChIInChI=1S/C18H16N4/c1-11-8-16-17(9-12(11)2)22(10-19-16)18-15-7-5-4-6-14(15)13(3)20-21-18/h4-10H,1-3H3
InChIKeyXVTCOVYYXPRKOR-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.89
Rot. Bonds1

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

1-(5,6-dimethylbenzimidazol-1-yl)-4-methylphthalazine (PubChem CID 6403503) has the molecular formula C18H16N4 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(5,6-dimethylbenzimidazol-1-yl)-4-methylphthalazine.

Molecular Properties

Compound Name1-(5,6-dimethylbenzimidazol-1-yl)-4-methylphthalazine
PubChem CID6403503
Molecular FormulaC18H16N4
Molecular Weight288.35 g/mol
Exact Mass288.14
IUPAC Name1-(5,6-dimethylbenzimidazol-1-yl)-4-methylphthalazine
SMILESCc1cc2ncn(-c3nnc(C)c4ccccc34)c2cc1C
InChIInChI=1S/C18H16N4/c1-11-8-16-17(9-12(11)2)22(10-19-16)18-15-7-5-4-6-14(15)13(3)20-21-18/h4-10H,1-3H3
InChIKeyXVTCOVYYXPRKOR-UHFFFAOYSA-N
XLogP3.89
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(5,6-dimethylbenzimidazol-1-yl)-4-methylphthalazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-N-(naphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 660996
5,6-dimethyl-1-((4-methylphenyl)methyl)-1H-1,3-benzodiazole
CID 962387
FK-739
CID 23668568
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
N-(2-aminoethyl)-12-methyl-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 9900652
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
5,6-dimethyl-N-(2-naphthyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 24882112
5-ethyl-N-(2-naphthyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 24882196
Diethyl-(2-indolo[2,3-b]quinoxalin-6-yl-ethyl)-amine
CID 816945

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethylbenzimidazol-1-yl)-4-methylphthalazine?
The IUPAC name of 1-(5,6-dimethylbenzimidazol-1-yl)-4-methylphthalazine (CID 6403503) is 1-(5,6-dimethylbenzimidazol-1-yl)-4-methylphthalazine.
What is the SMILES notation for 1-(5,6-dimethylbenzimidazol-1-yl)-4-methylphthalazine?
The canonical SMILES for 1-(5,6-dimethylbenzimidazol-1-yl)-4-methylphthalazine is Cc1cc2ncn(-c3nnc(C)c4ccccc34)c2cc1C.
What is the InChIKey of 1-(5,6-dimethylbenzimidazol-1-yl)-4-methylphthalazine?
The InChIKey is XVTCOVYYXPRKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4/c1-11-8-16-17(9-12(11)2)22(10-19-16)18-15-7-5-4-6-14(15)13(3)20-21-18/h4-10H,1-3H3.
What are the key properties of 1-(5,6-dimethylbenzimidazol-1-yl)-4-methylphthalazine?
1-(5,6-dimethylbenzimidazol-1-yl)-4-methylphthalazine has a molecular weight of 288.35 g/mol, XLogP of 3.89, 1 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-methylphthalazine is sourced from PubChem (CID 6403503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).