benzimidazolo[2,1-a]isoquinoline;ethane

C17H16N2 — CID 156745272

IUPACbenzimidazolo[2,1-a]isoquinoline;ethane
SMILESCC.c1ccc2c(c1)ccn1c3ccccc3nc21
InChIInChI=1S/C15H10N2.C2H6/c1-2-6-12-11(5-1)9-10-17-14-8-4-3-7-13(14)16-15(12)17;1-2/h1-10H;1-2H3
InChIKeyHNKCYDWUSCIHDA-UHFFFAOYSA-N
MW248.33 g/mol
LogP4.67
Rot. Bonds

About benzimidazolo[2,1-a]isoquinoline;ethane

benzimidazolo[2,1-a]isoquinoline;ethane (PubChem CID 156745272) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is benzimidazolo[2,1-a]isoquinoline;ethane.

Molecular Properties

Compound Namebenzimidazolo[2,1-a]isoquinoline;ethane
PubChem CID156745272
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Namebenzimidazolo[2,1-a]isoquinoline;ethane
SMILESCC.c1ccc2c(c1)ccn1c3ccccc3nc21
InChIInChI=1S/C15H10N2.C2H6/c1-2-6-12-11(5-1)9-10-17-14-8-4-3-7-13(14)16-15(12)17;1-2/h1-10H;1-2H3
InChIKeyHNKCYDWUSCIHDA-UHFFFAOYSA-N
XLogP4.67
TPSA17.30 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 ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxybenzimidazolo[2,1-a]isoquinoline
CID 134847544
9-phenylbenzimidazolo[2,1-a]isoquinoline
CID 58518009
3-tert-butylbenzimidazolo[2,1-f][1,6]naphthyridine
CID 70652136
2-methyl-3-phenylimidazo[2,1-a]isoquinoline
CID 58517681
7-tert-butyl-3,10-diazapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene
CID 58517904
7-phenylisoquinolino[2,1-a]quinazolin-6-one
CID 90245172
3-methyl-2-phenylimidazo[2,1-a]isoquinoline
CID 757851
2,5-bis(benzimidazolo[2,1-a]isoquinolin-5-yl)-1,3,4-oxadiazole
CID 90086769
3-bromo-2-methylpyrimido[2,1-a]isoquinolin-4-one
CID 12664177
2-ethylpyrimido[1,2-a]benzimidazole
CID 86020727
benzene-1,2-diamine;benzimidazolo[2,1-a][2,7]naphthyridine;4-ethynylpyridine-3-carbaldehyde
CID 158950267
4,6-diphenyl-3,5,10,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaene
CID 163388415

Frequently Asked Questions

What is the IUPAC name of benzimidazolo[2,1-a]isoquinoline;ethane?
The IUPAC name of benzimidazolo[2,1-a]isoquinoline;ethane (CID 156745272) is benzimidazolo[2,1-a]isoquinoline;ethane.
What is the SMILES notation for benzimidazolo[2,1-a]isoquinoline;ethane?
The canonical SMILES for benzimidazolo[2,1-a]isoquinoline;ethane is CC.c1ccc2c(c1)ccn1c3ccccc3nc21.
What is the InChIKey of benzimidazolo[2,1-a]isoquinoline;ethane?
The InChIKey is HNKCYDWUSCIHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2.C2H6/c1-2-6-12-11(5-1)9-10-17-14-8-4-3-7-13(14)16-15(12)17;1-2/h1-10H;1-2H3.
What are the key properties of benzimidazolo[2,1-a]isoquinoline;ethane?
benzimidazolo[2,1-a]isoquinoline;ethane has a molecular weight of 248.33 g/mol, XLogP of 4.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzimidazolo[2,1-a]isoquinoline;ethane is sourced from PubChem (CID 156745272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).