N-(2,6-dimethylphenyl)-1-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]ethanimine

C23H22N4 — CID 51050722

IUPACN-(2,6-dimethylphenyl)-1-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]ethanimine
SMILESC/C(=N\c1c(C)cccc1C)c1cccc(-c2nc3ccccc3n2C)n1
InChIInChI=1S/C23H22N4/c1-15-9-7-10-16(2)22(15)24-17(3)18-12-8-13-20(25-18)23-26-19-11-5-6-14-21(19)27(23)4/h5-14H,1-4H3/b24-17+
InChIKeyITOGEPXEQNZPSO-JJIBRWJFSA-N
MW354.46 g/mol
LogP5.39
Rot. Bonds3

About N-(2,6-dimethylphenyl)-1-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]ethanimine

N-(2,6-dimethylphenyl)-1-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]ethanimine (PubChem CID 51050722) has the molecular formula C23H22N4 and a molecular weight of 354.46 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-1-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]ethanimine.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-1-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]ethanimine
PubChem CID51050722
Molecular FormulaC23H22N4
Molecular Weight354.46 g/mol
Exact Mass354.18
IUPAC NameN-(2,6-dimethylphenyl)-1-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]ethanimine
SMILESC/C(=N\c1c(C)cccc1C)c1cccc(-c2nc3ccccc3n2C)n1
InChIInChI=1S/C23H22N4/c1-15-9-7-10-16(2)22(15)24-17(3)18-12-8-13-20(25-18)23-26-19-11-5-6-14-21(19)27(23)4/h5-14H,1-4H3/b24-17+
InChIKeyITOGEPXEQNZPSO-JJIBRWJFSA-N
XLogP5.39
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.46
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dimethylphenyl)-1-[6-(1-ethylbenzimidazol-2-yl)-2-pyridinyl]ethanimine
CID 102499013
chromium;N-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
CID 175164835
1-methyl-2-(6-methyl-2-pyridinyl)benzimidazole
CID 71344812
N-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;vanadium;trichloride
CID 173243974
N-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;trichlorochromium
CID 72644654
N-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;2,2-dimethylpropan-1-ol;iron
CID 171405736
4-methyl-6-(1-methylbenzimidazol-2-yl)pyridine-2-carboxylic acid
CID 134595074
1-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]benzotriazole
CID 102444439
2-(2,6-dibromophenyl)-1-methylbenzimidazole
CID 130205790
carbanide;cobalt(2+);1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine
CID 59100370
1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine;vanadium;trichloride
CID 173243756
1-methyl-2-[6-(3-methyl-1H-indol-2-yl)-2-pyridinyl]benzimidazole
CID 123623566

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-1-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]ethanimine?
The IUPAC name of N-(2,6-dimethylphenyl)-1-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]ethanimine (CID 51050722) is N-(2,6-dimethylphenyl)-1-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]ethanimine.
What is the SMILES notation for N-(2,6-dimethylphenyl)-1-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]ethanimine?
The canonical SMILES for N-(2,6-dimethylphenyl)-1-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]ethanimine is C/C(=N\c1c(C)cccc1C)c1cccc(-c2nc3ccccc3n2C)n1.
What is the InChIKey of N-(2,6-dimethylphenyl)-1-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]ethanimine?
The InChIKey is ITOGEPXEQNZPSO-JJIBRWJFSA-N. The full InChI is InChI=1S/C23H22N4/c1-15-9-7-10-16(2)22(15)24-17(3)18-12-8-13-20(25-18)23-26-19-11-5-6-14-21(19)27(23)4/h5-14H,1-4H3/b24-17+.
What are the key properties of N-(2,6-dimethylphenyl)-1-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]ethanimine?
N-(2,6-dimethylphenyl)-1-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]ethanimine has a molecular weight of 354.46 g/mol, XLogP of 5.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-1-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]ethanimine is sourced from PubChem (CID 51050722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).