2-(5,6-dimethylbenzimidazol-1-yl)quinoline

C18H15N3 — CID 17411926

IUPAC2-(5,6-dimethylbenzimidazol-1-yl)quinoline
SMILESCc1cc2ncn(-c3ccc4ccccc4n3)c2cc1C
InChIInChI=1S/C18H15N3/c1-12-9-16-17(10-13(12)2)21(11-19-16)18-8-7-14-5-3-4-6-15(14)20-18/h3-11H,1-2H3
InChIKeyVKTGDTULGBFPGW-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.19
Rot. Bonds1

About 2-(5,6-dimethylbenzimidazol-1-yl)quinoline

2-(5,6-dimethylbenzimidazol-1-yl)quinoline (PubChem CID 17411926) has the molecular formula C18H15N3 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(5,6-dimethylbenzimidazol-1-yl)quinoline.

Molecular Properties

Compound Name2-(5,6-dimethylbenzimidazol-1-yl)quinoline
PubChem CID17411926
Molecular FormulaC18H15N3
Molecular Weight273.34 g/mol
Exact Mass273.13
IUPAC Name2-(5,6-dimethylbenzimidazol-1-yl)quinoline
SMILESCc1cc2ncn(-c3ccc4ccccc4n3)c2cc1C
InChIInChI=1S/C18H15N3/c1-12-9-16-17(10-13(12)2)21(11-19-16)18-8-7-14-5-3-4-6-15(14)20-18/h3-11H,1-2H3
InChIKeyVKTGDTULGBFPGW-UHFFFAOYSA-N
XLogP4.19
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylbenzimidazol-1-yl)quinoline?
The IUPAC name of 2-(5,6-dimethylbenzimidazol-1-yl)quinoline (CID 17411926) is 2-(5,6-dimethylbenzimidazol-1-yl)quinoline.
What is the SMILES notation for 2-(5,6-dimethylbenzimidazol-1-yl)quinoline?
The canonical SMILES for 2-(5,6-dimethylbenzimidazol-1-yl)quinoline is Cc1cc2ncn(-c3ccc4ccccc4n3)c2cc1C.
What is the InChIKey of 2-(5,6-dimethylbenzimidazol-1-yl)quinoline?
The InChIKey is VKTGDTULGBFPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3/c1-12-9-16-17(10-13(12)2)21(11-19-16)18-8-7-14-5-3-4-6-15(14)20-18/h3-11H,1-2H3.
What are the key properties of 2-(5,6-dimethylbenzimidazol-1-yl)quinoline?
2-(5,6-dimethylbenzimidazol-1-yl)quinoline has a molecular weight of 273.34 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethylbenzimidazol-1-yl)quinoline is sourced from PubChem (CID 17411926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).