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

C99H87N13O — CID 158663492

IUPAC3,4-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
SMILESC.COc1cccc2ccc(CCc3nc4c5ccccc5ccc4n3C)nc12.Cc1cc2c(nc(CCc3ccc4ccccc4n3)n2C)c2ccccc12.Cc1cc2ccccc2c2nc(CCc3ccc4ccccc4n3)n(C)c12.Cn1c(CCc2ccc3ccc4cccnc4c3n2)nc2c3ccccc3ccc21
InChIInChI=1S/C26H20N4.C24H21N3O.2C24H21N3.CH4/c1-30-22-14-11-17-5-2-3-7-21(17)26(22)29-23(30)15-13-20-12-10-19-9-8-18-6-4-16-27-24(18)25(19)28-20;1-27-20-14-11-16-6-3-4-8-19(16)24(20)26-22(27)15-13-18-12-10-17-7-5-9-21(28-2)23(17)25-18;1-16-15-22-24(20-9-5-4-8-19(16)20)26-23(27(22)2)14-13-18-12-11-17-7-3-6-10-21(17)25-18;1-16-15-18-8-3-5-9-20(18)23-24(16)27(2)22(26-23)14-13-19-12-11-17-7-4-6-10-21(17)25-19;/h2-12,14,16H,13,15H2,1H3;3-12,14H,13,15H2,1-2H3;2*3-12,15H,13-14H2,1-2H3;1H4
InChIKeyIDBAPZQQAWCPPM-UHFFFAOYSA-N
MW1474.87 g/mol
LogP22.05
Rot. Bonds13

About 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

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 (PubChem CID 158663492) has the molecular formula C99H87N13O and a molecular weight of 1474.87 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3,4-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
PubChem CID158663492
Molecular FormulaC99H87N13O
Molecular Weight1474.87 g/mol
Exact Mass1473.72
IUPAC Name3,4-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
SMILESC.COc1cccc2ccc(CCc3nc4c5ccccc5ccc4n3C)nc12.Cc1cc2c(nc(CCc3ccc4ccccc4n3)n2C)c2ccccc12.Cc1cc2ccccc2c2nc(CCc3ccc4ccccc4n3)n(C)c12.Cn1c(CCc2ccc3ccc4cccnc4c3n2)nc2c3ccccc3ccc21
InChIInChI=1S/C26H20N4.C24H21N3O.2C24H21N3.CH4/c1-30-22-14-11-17-5-2-3-7-21(17)26(22)29-23(30)15-13-20-12-10-19-9-8-18-6-4-16-27-24(18)25(19)28-20;1-27-20-14-11-16-6-3-4-8-19(16)24(20)26-22(27)15-13-18-12-10-17-7-5-9-21(28-2)23(17)25-18;1-16-15-22-24(20-9-5-4-8-19(16)20)26-23(27(22)2)14-13-18-12-11-17-7-3-6-10-21(17)25-18;1-16-15-18-8-3-5-9-20(18)23-24(16)27(2)22(26-23)14-13-19-12-11-17-7-4-6-10-21(17)25-19;/h2-12,14,16H,13,15H2,1H3;3-12,14H,13,15H2,1-2H3;2*3-12,15H,13-14H2,1-2H3;1H4
InChIKeyIDBAPZQQAWCPPM-UHFFFAOYSA-N
XLogP22.05
TPSA144.96 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001474.87
LogP ≤ 522.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

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
2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)ethyl]benzo[h]quinoline
CID 134243207
6-ethyl-3-methyl-2-(2-quinolin-2-ylethyl)benzo[e]benzimidazole
CID 123709118
2-(2-quinolin-2-ylethyl)-1,10-phenanthroline;hydrochloride
CID 70116348
2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,5-dimethylimidazo[4,5-f]quinoline
CID 57414377
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
11,12-dimethoxyquinoxalino[2,3-f][1,10]phenanthroline;bis(1,10-phenanthroline);ruthenium(2+)
CID 139247806
2-[2-(5,8-dimethyl-1,6-naphthyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(5,8-dimethyl-1,6-naphthyridin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline;2-[2-(5,8-dimethylquinolin-2-yl)ethyl]-3H-pyrrolo[2,3-f]quinoline;3-methyl-2-[2-(8-methyl-1,5-naphthyridin-2-yl)ethyl]benzo[e]benzimidazole;2-[2-[1-methyl-4-(6-methyl-3-pyridinyl)imidazol-2-yl]ethyl]-1,5-naphthyridine;3-methyl-2-[2-(1,8-naphthyridin-2-yl)ethyl]benzo[e]benzimidazole
CID 158388231
7-(2,3-dimethoxyphenyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149516
2-[2-(2-methylnaphthalen-1-yl)ethyl]quinoline
CID 57166533
7-quinolin-5-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149739
3-methyl-2-pyridin-2-ylbenzo[e]benzimidazole;hydrochloride
CID 14011825

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.COc1cccc2ccc(CCc3nc4c5ccccc5ccc4n3C)nc12.Cc1cc2c(nc(CCc3ccc4ccccc4n3)n2C)c2ccccc12.Cc1cc2ccccc2c2nc(CCc3ccc4ccccc4n3)n(C)c12.Cn1c(CCc2ccc3ccc4cccnc4c3n2)nc2c3ccccc3ccc21.
What is the InChIKey of 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?
The InChIKey is IDBAPZQQAWCPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4.C24H21N3O.2C24H21N3.CH4/c1-30-22-14-11-17-5-2-3-7-21(17)26(22)29-23(30)15-13-20-12-10-19-9-8-18-6-4-16-27-24(18)25(19)28-20;1-27-20-14-11-16-6-3-4-8-19(16)24(20)26-22(27)15-13-18-12-10-17-7-5-9-21(28-2)23(17)25-18;1-16-15-22-24(20-9-5-4-8-19(16)20)26-23(27(22)2)14-13-18-12-11-17-7-3-6-10-21(17)25-18;1-16-15-18-8-3-5-9-20(18)23-24(16)27(2)22(26-23)14-13-19-12-11-17-7-4-6-10-21(17)25-19;/h2-12,14,16H,13,15H2,1H3;3-12,14H,13,15H2,1-2H3;2*3-12,15H,13-14H2,1-2H3;1H4.
What are the key properties of 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?
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 has a molecular weight of 1474.87 g/mol, XLogP of 22.05, 13 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158663492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).