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

C109H149N21 — CID 161311989

IUPACbis(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
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc2ccncc2cn1.Cc1cnc2cccnc2c1.Cc1cnc2ccncc2c1.Cc1cnc2cnccc2c1.Cc1cnc2ncccc2c1.Cc1nc2ccccc2n1C.Cc1nc2ccccc2n1C.Cc1nc2ccccn2c1C.Cc1nc2ccccn2c1C.Cc1nc2ncccn2c1C
InChIInChI=1S/4C9H10N2.5C9H8N2.C8H9N3.10C2H6/c2*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;1-7-4-8-2-3-10-5-9(8)6-11-7;1-7-4-8-6-10-3-2-9(8)11-5-7;1-7-4-8-2-3-10-6-9(8)11-5-7;1-7-5-9-8(11-6-7)3-2-4-10-9;1-7-5-8-3-2-4-10-9(8)11-6-7;1-6-7(2)11-5-3-4-9-8(11)10-6;10*1-2/h4*3-6H,1-2H3;5*2-6H,1H3;3-5H,1-2H3;10*1-2H3
InChIKeyVIZZKQZKTCOIGG-UHFFFAOYSA-N
MW1753.54 g/mol
LogP28.96
Rot. Bonds

About 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

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 (PubChem CID 161311989) has the molecular formula C109H149N21 and a molecular weight of 1753.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebis(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
PubChem CID161311989
Molecular FormulaC109H149N21
Molecular Weight1753.54 g/mol
Exact Mass1752.23
IUPAC Namebis(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
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc2ccncc2cn1.Cc1cnc2cccnc2c1.Cc1cnc2ccncc2c1.Cc1cnc2cnccc2c1.Cc1cnc2ncccc2c1.Cc1nc2ccccc2n1C.Cc1nc2ccccc2n1C.Cc1nc2ccccn2c1C.Cc1nc2ccccn2c1C.Cc1nc2ncccn2c1C
InChIInChI=1S/4C9H10N2.5C9H8N2.C8H9N3.10C2H6/c2*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;1-7-4-8-2-3-10-5-9(8)6-11-7;1-7-4-8-6-10-3-2-9(8)11-5-7;1-7-4-8-2-3-10-6-9(8)11-5-7;1-7-5-9-8(11-6-7)3-2-4-10-9;1-7-5-8-3-2-4-10-9(8)11-6-7;1-6-7(2)11-5-3-4-9-8(11)10-6;10*1-2/h4*3-6H,1-2H3;5*2-6H,1H3;3-5H,1-2H3;10*1-2H3
InChIKeyVIZZKQZKTCOIGG-UHFFFAOYSA-N
XLogP28.96
TPSA229.33 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds
Heavy Atoms130
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001753.54
LogP ≤ 528.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc2ccncc2cn1.Cc1cnc2cccnc2c1.Cc1cnc2ccncc2c1.Cc1cnc2cnccc2c1.Cc1cnc2ncccc2c1.Cc1nc2ccccc2n1C.Cc1nc2ccccc2n1C.Cc1nc2ccccn2c1C.Cc1nc2ccccn2c1C.Cc1nc2ncccn2c1C.
What is the InChIKey of 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?
The InChIKey is VIZZKQZKTCOIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/4C9H10N2.5C9H8N2.C8H9N3.10C2H6/c2*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;1-7-4-8-2-3-10-5-9(8)6-11-7;1-7-4-8-6-10-3-2-9(8)11-5-7;1-7-4-8-2-3-10-6-9(8)11-5-7;1-7-5-9-8(11-6-7)3-2-4-10-9;1-7-5-8-3-2-4-10-9(8)11-6-7;1-6-7(2)11-5-3-4-9-8(11)10-6;10*1-2/h4*3-6H,1-2H3;5*2-6H,1H3;3-5H,1-2H3;10*1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1753.54 g/mol, XLogP of 28.96, 0 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161311989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).