5-[8-(3-cyanophenyl)-3-methyl-2-oxobenzo[g]benzimidazol-1-yl]-2-piperazin-1-ylbenzonitrile

C30H24N6O — CID 169045685

IUPAC5-[8-(3-cyanophenyl)-3-methyl-2-oxobenzo[g]benzimidazol-1-yl]-2-piperazin-1-ylbenzonitrile
SMILESCn1c(=O)n(-c2ccc(N3CCNCC3)c(C#N)c2)c2c3cc(-c4cccc(C#N)c4)ccc3ccc21
InChIInChI=1S/C30H24N6O/c1-34-28-9-7-21-5-6-23(22-4-2-3-20(15-22)18-31)17-26(21)29(28)36(30(34)37)25-8-10-27(24(16-25)19-32)35-13-11-33-12-14-35/h2-10,15-17,33H,11-14H2,1H3
InChIKeyOMKMYGKOQRWBKV-UHFFFAOYSA-N
MW484.56 g/mol
LogP4.30
Rot. Bonds3

About 5-[8-(3-cyanophenyl)-3-methyl-2-oxobenzo[g]benzimidazol-1-yl]-2-piperazin-1-ylbenzonitrile

5-[8-(3-cyanophenyl)-3-methyl-2-oxobenzo[g]benzimidazol-1-yl]-2-piperazin-1-ylbenzonitrile (PubChem CID 169045685) has the molecular formula C30H24N6O and a molecular weight of 484.56 g/mol. Its IUPAC name is 5-[8-(3-cyanophenyl)-3-methyl-2-oxobenzo[g]benzimidazol-1-yl]-2-piperazin-1-ylbenzonitrile.

Molecular Properties

Compound Name5-[8-(3-cyanophenyl)-3-methyl-2-oxobenzo[g]benzimidazol-1-yl]-2-piperazin-1-ylbenzonitrile
PubChem CID169045685
Molecular FormulaC30H24N6O
Molecular Weight484.56 g/mol
Exact Mass484.20
IUPAC Name5-[8-(3-cyanophenyl)-3-methyl-2-oxobenzo[g]benzimidazol-1-yl]-2-piperazin-1-ylbenzonitrile
SMILESCn1c(=O)n(-c2ccc(N3CCNCC3)c(C#N)c2)c2c3cc(-c4cccc(C#N)c4)ccc3ccc21
InChIInChI=1S/C30H24N6O/c1-34-28-9-7-21-5-6-23(22-4-2-3-20(15-22)18-31)17-26(21)29(28)36(30(34)37)25-8-10-27(24(16-25)19-32)35-13-11-33-12-14-35/h2-10,15-17,33H,11-14H2,1H3
InChIKeyOMKMYGKOQRWBKV-UHFFFAOYSA-N
XLogP4.30
TPSA89.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 5-[8-(3-cyanophenyl)-3-methyl-2-oxobenzo[g]benzimidazol-1-yl]-2-piperazin-1-ylbenzonitrile 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-[8-(4-chlorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]benzonitrile
CID 134438118
4,5-bis[3,6-bis(3-cyanophenyl)carbazol-9-yl]-2-(3-cyanophenyl)benzonitrile
CID 155377784
5-[2,6-bis(3-cyanophenyl)pyrimidin-4-yl]-2-(3-carbazol-9-ylcarbazol-9-yl)benzonitrile
CID 126735057
4-[3-(3-cyanophenyl)carbazol-9-yl]-2-[2-[3-(3-cyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155003450
4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-2-[2-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155003372
2-(3-cyanophenyl)-4,5-bis(3-phenylcarbazol-9-yl)benzonitrile
CID 155377559
5-[4-carbazol-9-yl-6-(3-cyanophenyl)-1,3,5-triazin-2-yl]-2-(3,6-diphenylcarbazol-9-yl)benzonitrile
CID 170444642
3,5-bis[3,6-bis(3-cyanophenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 142465868
4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
CID 134476186
3-[8-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-2-yl]benzonitrile
CID 122576049
4-[3-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 122418325
3-[4,6-bis[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]benzonitrile
CID 118259301

Frequently Asked Questions

What is the IUPAC name of 5-[8-(3-cyanophenyl)-3-methyl-2-oxobenzo[g]benzimidazol-1-yl]-2-piperazin-1-ylbenzonitrile?
The IUPAC name of 5-[8-(3-cyanophenyl)-3-methyl-2-oxobenzo[g]benzimidazol-1-yl]-2-piperazin-1-ylbenzonitrile (CID 169045685) is 5-[8-(3-cyanophenyl)-3-methyl-2-oxobenzo[g]benzimidazol-1-yl]-2-piperazin-1-ylbenzonitrile.
What is the SMILES notation for 5-[8-(3-cyanophenyl)-3-methyl-2-oxobenzo[g]benzimidazol-1-yl]-2-piperazin-1-ylbenzonitrile?
The canonical SMILES for 5-[8-(3-cyanophenyl)-3-methyl-2-oxobenzo[g]benzimidazol-1-yl]-2-piperazin-1-ylbenzonitrile is Cn1c(=O)n(-c2ccc(N3CCNCC3)c(C#N)c2)c2c3cc(-c4cccc(C#N)c4)ccc3ccc21.
What is the InChIKey of 5-[8-(3-cyanophenyl)-3-methyl-2-oxobenzo[g]benzimidazol-1-yl]-2-piperazin-1-ylbenzonitrile?
The InChIKey is OMKMYGKOQRWBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N6O/c1-34-28-9-7-21-5-6-23(22-4-2-3-20(15-22)18-31)17-26(21)29(28)36(30(34)37)25-8-10-27(24(16-25)19-32)35-13-11-33-12-14-35/h2-10,15-17,33H,11-14H2,1H3.
What are the key properties of 5-[8-(3-cyanophenyl)-3-methyl-2-oxobenzo[g]benzimidazol-1-yl]-2-piperazin-1-ylbenzonitrile?
5-[8-(3-cyanophenyl)-3-methyl-2-oxobenzo[g]benzimidazol-1-yl]-2-piperazin-1-ylbenzonitrile has a molecular weight of 484.56 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(3-cyanophenyl)-3-methyl-2-oxobenzo[g]benzimidazol-1-yl]-2-piperazin-1-ylbenzonitrile is sourced from PubChem (CID 169045685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).