bis(1,2-dimethylbenzimidazole);bis(2,3-dimethylimidazo[1,2-a]pyridine);bis(2,3-dimethylimidazo[1,2-a]pyrimidine);ethane;4-methyl-1,5-naphthyridine;5-methyl-1,10-phenanthroline

C92H130N18 — CID 159602270

IUPACbis(1,2-dimethylbenzimidazole);bis(2,3-dimethylimidazo[1,2-a]pyridine);bis(2,3-dimethylimidazo[1,2-a]pyrimidine);ethane;4-methyl-1,5-naphthyridine;5-methyl-1,10-phenanthroline
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc2cccnc2c2ncccc12.Cc1ccnc2cccnc12.Cc1nc2ccccc2n1C.Cc1nc2ccccc2n1C.Cc1nc2ccccn2c1C.Cc1nc2ccccn2c1C.Cc1nc2ncccn2c1C.Cc1nc2ncccn2c1C
InChIInChI=1S/C13H10N2.4C9H10N2.C9H8N2.2C8H9N3.9C2H6/c1-9-8-10-4-2-6-14-12(10)13-11(9)5-3-7-15-13;2*1-7-10-8-5-3-4-6-9(8)11(7)2;2*1-7-8(2)11-6-4-3-5-9(11)10-7;1-7-4-6-10-8-3-2-5-11-9(7)8;2*1-6-7(2)11-5-3-4-9-8(11)10-6;9*1-2/h2-8H,1H3;4*3-6H,1-2H3;2-6H,1H3;2*3-5H,1-2H3;9*1-2H3
InChIKeyMLQAYANJONYKAA-UHFFFAOYSA-N
MW1488.18 g/mol
LogP24.62
Rot. Bonds

About bis(1,2-dimethylbenzimidazole);bis(2,3-dimethylimidazo[1,2-a]pyridine);bis(2,3-dimethylimidazo[1,2-a]pyrimidine);ethane;4-methyl-1,5-naphthyridine;5-methyl-1,10-phenanthroline

bis(1,2-dimethylbenzimidazole);bis(2,3-dimethylimidazo[1,2-a]pyridine);bis(2,3-dimethylimidazo[1,2-a]pyrimidine);ethane;4-methyl-1,5-naphthyridine;5-methyl-1,10-phenanthroline (PubChem CID 159602270) has the molecular formula C92H130N18 and a molecular weight of 1488.18 g/mol. Its IUPAC name is bis(1,2-dimethylbenzimidazole);bis(2,3-dimethylimidazo[1,2-a]pyridine);bis(2,3-dimethylimidazo[1,2-a]pyrimidine);ethane;4-methyl-1,5-naphthyridine;5-methyl-1,10-phenanthroline.

Molecular Properties

Compound Namebis(1,2-dimethylbenzimidazole);bis(2,3-dimethylimidazo[1,2-a]pyridine);bis(2,3-dimethylimidazo[1,2-a]pyrimidine);ethane;4-methyl-1,5-naphthyridine;5-methyl-1,10-phenanthroline
PubChem CID159602270
Molecular FormulaC92H130N18
Molecular Weight1488.18 g/mol
Exact Mass1487.07
IUPAC Namebis(1,2-dimethylbenzimidazole);bis(2,3-dimethylimidazo[1,2-a]pyridine);bis(2,3-dimethylimidazo[1,2-a]pyrimidine);ethane;4-methyl-1,5-naphthyridine;5-methyl-1,10-phenanthroline
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc2cccnc2c2ncccc12.Cc1ccnc2cccnc12.Cc1nc2ccccc2n1C.Cc1nc2ccccc2n1C.Cc1nc2ccccn2c1C.Cc1nc2ccccn2c1C.Cc1nc2ncccn2c1C.Cc1nc2ncccn2c1C
InChIInChI=1S/C13H10N2.4C9H10N2.C9H8N2.2C8H9N3.9C2H6/c1-9-8-10-4-2-6-14-12(10)13-11(9)5-3-7-15-13;2*1-7-10-8-5-3-4-6-9(8)11(7)2;2*1-7-8(2)11-6-4-3-5-9(11)10-7;1-7-4-6-10-8-3-2-5-11-9(7)8;2*1-6-7(2)11-5-3-4-9-8(11)10-6;9*1-2/h2-8H,1H3;4*3-6H,1-2H3;2-6H,1H3;2*3-5H,1-2H3;9*1-2H3
InChIKeyMLQAYANJONYKAA-UHFFFAOYSA-N
XLogP24.62
TPSA182.18 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001488.18
LogP ≤ 524.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze bis(1,2-dimethylbenzimidazole);bis(2,3-dimethylimidazo[1,2-a]pyridine);bis(2,3-dimethylimidazo[1,2-a]pyrimidine);ethane;4-methyl-1,5-naphthyridine;5-methyl-1,10-phenanthroline with MolForge

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Related Compounds

bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;2-methyl-1,10-phenanthroline;3-methyl-1,10-phenanthroline;4-methyl-1,10-phenanthroline;5-methyl-1,10-phenanthroline
CID 161472267
bis(1,2-dimethylbenzimidazole);bis(2,3-dimethylimidazo[1,2-a]pyridine);2,3-dimethylimidazo[1,2-a]pyrimidine;ethane;3-methyl-1,5-naphthyridine;3-methyl-1,6-naphthyridine;3-methyl-1,7-naphthyridine;3-methyl-1,8-naphthyridine;3-methyl-2,7-naphthyridine
CID 161311989
1-methyl-2-phenylbenzimidazole;2-methyl-3-phenylimidazo[1,2-a]pyridine;3-methyl-2-phenylimidazo[1,2-a]pyridine;2-methyl-3-phenylimidazo[1,2-a]pyrimidine;3-methyl-2-phenylimidazo[1,2-a]pyrimidine;3-methyl-4-phenylisoquinoline
CID 160616097
5-[3-(2,6-dimethyl-3-pyridinyl)-5-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]-1,10-phenanthroline
CID 164781279
ethane;3-methyl-1,5-naphthyridine;4-methyl-1,5-naphthyridine
CID 144598154
1,2-dimethylbenzimidazole;formaldehyde;methanol
CID 90743807
8-(1-methylbenzimidazol-2-yl)-6-[9-[8-(1-methylbenzimidazol-2-yl)quinolin-6-yl]fluoren-9-yl]quinoline
CID 153429211
2,6-diphenylpyridine;ethane;isoquinoline;5-methyl-1,10-phenanthroline;1,10-phenanthroline;quinoline
CID 158618516
6,6'-dimethyl-15,15'-spirobi[1,12-diazoniatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene];bis(5-methyl-1,10-phenanthroline)
CID 162286611
ethane;4-methylphenanthridine;7-methylphenanthridine;8-methylphenanthridine;2-methyl-1,10-phenanthroline;3-methyl-1,10-phenanthroline;4-methyl-1,10-phenanthroline;5-methyl-1,10-phenanthroline
CID 161402197
5-methyl-1,10-phenanthrolin-2-amine
CID 121279009
ethane;6,9,15,17,22-pentazapentacyclo[12.8.0.02,7.08,13.016,21]docosa-1(22),2(7),3,5,8(13),9,11,14,16(21),17,19-undecaene
CID 145351041

Frequently Asked Questions

What is the IUPAC name of bis(1,2-dimethylbenzimidazole);bis(2,3-dimethylimidazo[1,2-a]pyridine);bis(2,3-dimethylimidazo[1,2-a]pyrimidine);ethane;4-methyl-1,5-naphthyridine;5-methyl-1,10-phenanthroline?
The IUPAC name of bis(1,2-dimethylbenzimidazole);bis(2,3-dimethylimidazo[1,2-a]pyridine);bis(2,3-dimethylimidazo[1,2-a]pyrimidine);ethane;4-methyl-1,5-naphthyridine;5-methyl-1,10-phenanthroline (CID 159602270) is bis(1,2-dimethylbenzimidazole);bis(2,3-dimethylimidazo[1,2-a]pyridine);bis(2,3-dimethylimidazo[1,2-a]pyrimidine);ethane;4-methyl-1,5-naphthyridine;5-methyl-1,10-phenanthroline.
What is the SMILES notation for bis(1,2-dimethylbenzimidazole);bis(2,3-dimethylimidazo[1,2-a]pyridine);bis(2,3-dimethylimidazo[1,2-a]pyrimidine);ethane;4-methyl-1,5-naphthyridine;5-methyl-1,10-phenanthroline?
The canonical SMILES for bis(1,2-dimethylbenzimidazole);bis(2,3-dimethylimidazo[1,2-a]pyridine);bis(2,3-dimethylimidazo[1,2-a]pyrimidine);ethane;4-methyl-1,5-naphthyridine;5-methyl-1,10-phenanthroline is CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc2cccnc2c2ncccc12.Cc1ccnc2cccnc12.Cc1nc2ccccc2n1C.Cc1nc2ccccc2n1C.Cc1nc2ccccn2c1C.Cc1nc2ccccn2c1C.Cc1nc2ncccn2c1C.Cc1nc2ncccn2c1C.
What is the InChIKey of bis(1,2-dimethylbenzimidazole);bis(2,3-dimethylimidazo[1,2-a]pyridine);bis(2,3-dimethylimidazo[1,2-a]pyrimidine);ethane;4-methyl-1,5-naphthyridine;5-methyl-1,10-phenanthroline?
The InChIKey is MLQAYANJONYKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2.4C9H10N2.C9H8N2.2C8H9N3.9C2H6/c1-9-8-10-4-2-6-14-12(10)13-11(9)5-3-7-15-13;2*1-7-10-8-5-3-4-6-9(8)11(7)2;2*1-7-8(2)11-6-4-3-5-9(11)10-7;1-7-4-6-10-8-3-2-5-11-9(7)8;2*1-6-7(2)11-5-3-4-9-8(11)10-6;9*1-2/h2-8H,1H3;4*3-6H,1-2H3;2-6H,1H3;2*3-5H,1-2H3;9*1-2H3.
What are the key properties of bis(1,2-dimethylbenzimidazole);bis(2,3-dimethylimidazo[1,2-a]pyridine);bis(2,3-dimethylimidazo[1,2-a]pyrimidine);ethane;4-methyl-1,5-naphthyridine;5-methyl-1,10-phenanthroline?
bis(1,2-dimethylbenzimidazole);bis(2,3-dimethylimidazo[1,2-a]pyridine);bis(2,3-dimethylimidazo[1,2-a]pyrimidine);ethane;4-methyl-1,5-naphthyridine;5-methyl-1,10-phenanthroline has a molecular weight of 1488.18 g/mol, XLogP of 24.62, 0 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,2-dimethylbenzimidazole);bis(2,3-dimethylimidazo[1,2-a]pyridine);bis(2,3-dimethylimidazo[1,2-a]pyrimidine);ethane;4-methyl-1,5-naphthyridine;5-methyl-1,10-phenanthroline is sourced from PubChem (CID 159602270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).