3,10-dimethyl-5,6-dihydrobenzimidazolo[1,2-a]quinoline

C17H16N2 — CID 102283864

IUPAC3,10-dimethyl-5,6-dihydrobenzimidazolo[1,2-a]quinoline
SMILESCc1ccc2c(c1)CCc1nc3ccc(C)cc3n1-2
InChIInChI=1S/C17H16N2/c1-11-4-7-15-13(9-11)5-8-17-18-14-6-3-12(2)10-16(14)19(15)17/h3-4,6-7,9-10H,5,8H2,1-2H3
InChIKeyFOGCAWVYUMXTQS-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.74
Rot. Bonds

About 3,10-dimethyl-5,6-dihydrobenzimidazolo[1,2-a]quinoline

3,10-dimethyl-5,6-dihydrobenzimidazolo[1,2-a]quinoline (PubChem CID 102283864) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3,10-dimethyl-5,6-dihydrobenzimidazolo[1,2-a]quinoline.

Molecular Properties

Compound Name3,10-dimethyl-5,6-dihydrobenzimidazolo[1,2-a]quinoline
PubChem CID102283864
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name3,10-dimethyl-5,6-dihydrobenzimidazolo[1,2-a]quinoline
SMILESCc1ccc2c(c1)CCc1nc3ccc(C)cc3n1-2
InChIInChI=1S/C17H16N2/c1-11-4-7-15-13(9-11)5-8-17-18-14-6-3-12(2)10-16(14)19(15)17/h3-4,6-7,9-10H,5,8H2,1-2H3
InChIKeyFOGCAWVYUMXTQS-UHFFFAOYSA-N
XLogP3.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,10-dimethyl-5,6-dihydrobenzimidazolo[1,2-a]quinoline?
The IUPAC name of 3,10-dimethyl-5,6-dihydrobenzimidazolo[1,2-a]quinoline (CID 102283864) is 3,10-dimethyl-5,6-dihydrobenzimidazolo[1,2-a]quinoline.
What is the SMILES notation for 3,10-dimethyl-5,6-dihydrobenzimidazolo[1,2-a]quinoline?
The canonical SMILES for 3,10-dimethyl-5,6-dihydrobenzimidazolo[1,2-a]quinoline is Cc1ccc2c(c1)CCc1nc3ccc(C)cc3n1-2.
What is the InChIKey of 3,10-dimethyl-5,6-dihydrobenzimidazolo[1,2-a]quinoline?
The InChIKey is FOGCAWVYUMXTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-11-4-7-15-13(9-11)5-8-17-18-14-6-3-12(2)10-16(14)19(15)17/h3-4,6-7,9-10H,5,8H2,1-2H3.
What are the key properties of 3,10-dimethyl-5,6-dihydrobenzimidazolo[1,2-a]quinoline?
3,10-dimethyl-5,6-dihydrobenzimidazolo[1,2-a]quinoline has a molecular weight of 248.33 g/mol, XLogP of 3.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-dimethyl-5,6-dihydrobenzimidazolo[1,2-a]quinoline is sourced from PubChem (CID 102283864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).