6-ethyl-3-methyl-2-(2-quinolin-2-ylethyl)benzo[e]benzimidazole

C25H23N3 — CID 123709118

IUPAC6-ethyl-3-methyl-2-(2-quinolin-2-ylethyl)benzo[e]benzimidazole
SMILESCCc1cccc2c1ccc1c2nc(CCc2ccc3ccccc3n2)n1C
InChIInChI=1S/C25H23N3/c1-3-17-8-6-9-21-20(17)14-15-23-25(21)27-24(28(23)2)16-13-19-12-11-18-7-4-5-10-22(18)26-19/h4-12,14-15H,3,13,16H2,1-2H3
InChIKeyBHFGYHUWBSAJNS-UHFFFAOYSA-N
MW365.48 g/mol
LogP5.62
Rot. Bonds4

About 6-ethyl-3-methyl-2-(2-quinolin-2-ylethyl)benzo[e]benzimidazole

6-ethyl-3-methyl-2-(2-quinolin-2-ylethyl)benzo[e]benzimidazole (PubChem CID 123709118) has the molecular formula C25H23N3 and a molecular weight of 365.48 g/mol. Its IUPAC name is 6-ethyl-3-methyl-2-(2-quinolin-2-ylethyl)benzo[e]benzimidazole.

Molecular Properties

Compound Name6-ethyl-3-methyl-2-(2-quinolin-2-ylethyl)benzo[e]benzimidazole
PubChem CID123709118
Molecular FormulaC25H23N3
Molecular Weight365.48 g/mol
Exact Mass365.19
IUPAC Name6-ethyl-3-methyl-2-(2-quinolin-2-ylethyl)benzo[e]benzimidazole
SMILESCCc1cccc2c1ccc1c2nc(CCc2ccc3ccccc3n2)n1C
InChIInChI=1S/C25H23N3/c1-3-17-8-6-9-21-20(17)14-15-23-25(21)27-24(28(23)2)16-13-19-12-11-18-7-4-5-10-22(18)26-19/h4-12,14-15H,3,13,16H2,1-2H3
InChIKeyBHFGYHUWBSAJNS-UHFFFAOYSA-N
XLogP5.62
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.48
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)ethyl]benzo[h]quinoline
CID 134243207
3,4-dimethyl-2-(2-quinolin-2-ylethyl)benzo[e]benzimidazole;3,5-dimethyl-2-(2-quinolin-2-ylethyl)benzo[e]benzimidazole;methane;2-[2-(8-methoxyquinolin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(3-methylbenzo[e]benzimidazol-2-yl)ethyl]-1,10-phenanthroline
CID 158663492
3,5-dimethyl-2-(2-quinolin-2-ylethyl)benzo[e]benzimidazole;2-[2-(8-methoxyquinolin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(8-methoxyquinolin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline;1-methyl-2-(2-quinolin-2-ylethyl)benzo[e]benzimidazole;3-methyl-2-(2-quinolin-2-ylethyl)benzo[e]benzimidazole;3-methyl-2-(2-quinolin-2-ylethyl)imidazo[4,5-h]quinoline
CID 158650251
azane;2,4-diethyl-1-methylbenzimidazole
CID 69090242
2-[2-[5-(2-fluoro-3-methylphenyl)-3H-pyrrol-2-yl]ethyl]quinoline;2-[2-[5-(2-methylphenyl)-3H-pyrrol-2-yl]ethyl]quinoline;2-[2-[5-(3-methylphenyl)-3H-pyrrol-2-yl]ethyl]quinoline;3-methyl-2-(2-quinolin-2-ylethyl)benzo[e]benzimidazole;2-[2-(5-pyridin-4-yl-3H-pyrrol-2-yl)ethyl]quinoline
CID 158626232
2-[2-(2-methylnaphthalen-1-yl)ethyl]quinoline
CID 57166533
2-[2-(5,8-difluoroquinoxalin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline
CID 70098732
2-(2-quinolin-2-ylethyl)phenol;hydrochloride
CID 90025480
[1-methyl-2-(2-phenylethyl)benzimidazol-4-yl]methanamine
CID 104721579
azane;1-ethylnaphthalene
CID 19048185
6-ethyl-3-methyl-2-(2-quinoxalin-2-ylethyl)-6H-cyclohepta[e]benzimidazole
CID 123156982
8-ethyl-2-propylquinoline
CID 58320607

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-methyl-2-(2-quinolin-2-ylethyl)benzo[e]benzimidazole?
The IUPAC name of 6-ethyl-3-methyl-2-(2-quinolin-2-ylethyl)benzo[e]benzimidazole (CID 123709118) is 6-ethyl-3-methyl-2-(2-quinolin-2-ylethyl)benzo[e]benzimidazole.
What is the SMILES notation for 6-ethyl-3-methyl-2-(2-quinolin-2-ylethyl)benzo[e]benzimidazole?
The canonical SMILES for 6-ethyl-3-methyl-2-(2-quinolin-2-ylethyl)benzo[e]benzimidazole is CCc1cccc2c1ccc1c2nc(CCc2ccc3ccccc3n2)n1C.
What is the InChIKey of 6-ethyl-3-methyl-2-(2-quinolin-2-ylethyl)benzo[e]benzimidazole?
The InChIKey is BHFGYHUWBSAJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3/c1-3-17-8-6-9-21-20(17)14-15-23-25(21)27-24(28(23)2)16-13-19-12-11-18-7-4-5-10-22(18)26-19/h4-12,14-15H,3,13,16H2,1-2H3.
What are the key properties of 6-ethyl-3-methyl-2-(2-quinolin-2-ylethyl)benzo[e]benzimidazole?
6-ethyl-3-methyl-2-(2-quinolin-2-ylethyl)benzo[e]benzimidazole has a molecular weight of 365.48 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-methyl-2-(2-quinolin-2-ylethyl)benzo[e]benzimidazole is sourced from PubChem (CID 123709118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).