4-ethyl-2-(4-methylphenyl)-[1,3,5]triazino[1,2-a]benzimidazole

C18H16N4 — CID 14245741

IUPAC4-ethyl-2-(4-methylphenyl)-[1,3,5]triazino[1,2-a]benzimidazole
SMILESCCc1nc(-c2ccc(C)cc2)nc2nc3ccccc3n12
InChIInChI=1S/C18H16N4/c1-3-16-20-17(13-10-8-12(2)9-11-13)21-18-19-14-6-4-5-7-15(14)22(16)18/h4-11H,3H2,1-2H3
InChIKeyXCMQRUWNHRJCAY-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.82
Rot. Bonds2

About 4-ethyl-2-(4-methylphenyl)-[1,3,5]triazino[1,2-a]benzimidazole

4-ethyl-2-(4-methylphenyl)-[1,3,5]triazino[1,2-a]benzimidazole (PubChem CID 14245741) has the molecular formula C18H16N4 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-ethyl-2-(4-methylphenyl)-[1,3,5]triazino[1,2-a]benzimidazole.

Molecular Properties

Compound Name4-ethyl-2-(4-methylphenyl)-[1,3,5]triazino[1,2-a]benzimidazole
PubChem CID14245741
Molecular FormulaC18H16N4
Molecular Weight288.35 g/mol
Exact Mass288.14
IUPAC Name4-ethyl-2-(4-methylphenyl)-[1,3,5]triazino[1,2-a]benzimidazole
SMILESCCc1nc(-c2ccc(C)cc2)nc2nc3ccccc3n12
InChIInChI=1S/C18H16N4/c1-3-16-20-17(13-10-8-12(2)9-11-13)21-18-19-14-6-4-5-7-15(14)22(16)18/h4-11H,3H2,1-2H3
InChIKeyXCMQRUWNHRJCAY-UHFFFAOYSA-N
XLogP3.82
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)-[1,2,4]thiadiazolo[2,3-a]benzimidazole
CID 21452395
4-(4-bromophenyl)-1-ethyl-3-methylimidazo[1,5-a]quinoxaline
CID 102501781
(2-ethylbenzimidazol-1-yl)-(4-methylphenyl)methanone
CID 177379362
1-ethyl-4-(4-fluorophenyl)-3-methylimidazo[1,5-a]quinoxaline
CID 102501782
2-methyl-4-propylpyrimido[1,2-a]benzimidazole
CID 102439815
1-[(4-methylphenyl)methyl]-2-propylbenzimidazole
CID 884778
4-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)pyrimido[1,2-a]benzimidazole
CID 122378727
3,4-dimethyl-1-propylimidazo[1,5-a]quinoxaline
CID 42629095
4-methyl-N-[4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-N-(4-methylphenyl)aniline
CID 163796534
2-ethylpyrimido[1,2-a]benzimidazole
CID 86020727
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4-methylphenyl)benzimidazol-1-yl]phenyl]-2-(4-methylphenyl)benzimidazole
CID 155173966
1-[(2,5-dimethylphenyl)methyl]-2-ethylbenzimidazole
CID 962442

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(4-methylphenyl)-[1,3,5]triazino[1,2-a]benzimidazole?
The IUPAC name of 4-ethyl-2-(4-methylphenyl)-[1,3,5]triazino[1,2-a]benzimidazole (CID 14245741) is 4-ethyl-2-(4-methylphenyl)-[1,3,5]triazino[1,2-a]benzimidazole.
What is the SMILES notation for 4-ethyl-2-(4-methylphenyl)-[1,3,5]triazino[1,2-a]benzimidazole?
The canonical SMILES for 4-ethyl-2-(4-methylphenyl)-[1,3,5]triazino[1,2-a]benzimidazole is CCc1nc(-c2ccc(C)cc2)nc2nc3ccccc3n12.
What is the InChIKey of 4-ethyl-2-(4-methylphenyl)-[1,3,5]triazino[1,2-a]benzimidazole?
The InChIKey is XCMQRUWNHRJCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4/c1-3-16-20-17(13-10-8-12(2)9-11-13)21-18-19-14-6-4-5-7-15(14)22(16)18/h4-11H,3H2,1-2H3.
What are the key properties of 4-ethyl-2-(4-methylphenyl)-[1,3,5]triazino[1,2-a]benzimidazole?
4-ethyl-2-(4-methylphenyl)-[1,3,5]triazino[1,2-a]benzimidazole has a molecular weight of 288.35 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(4-methylphenyl)-[1,3,5]triazino[1,2-a]benzimidazole is sourced from PubChem (CID 14245741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).