benzimidazolo[1,2-a]quinoline-10-carbonitrile

C16H9N3 — CID 23656276

IUPACbenzimidazolo[1,2-a]quinoline-10-carbonitrile
SMILESN#Cc1ccc2nc3ccc4ccccc4n3c2c1
InChIInChI=1S/C16H9N3/c17-10-11-5-7-13-15(9-11)19-14-4-2-1-3-12(14)6-8-16(19)18-13/h1-9H
InChIKeyVWZNXCPFKGEPRL-UHFFFAOYSA-N
MW243.27 g/mol
LogP3.51
Rot. Bonds

About benzimidazolo[1,2-a]quinoline-10-carbonitrile

benzimidazolo[1,2-a]quinoline-10-carbonitrile (PubChem CID 23656276) has the molecular formula C16H9N3 and a molecular weight of 243.27 g/mol. Its IUPAC name is benzimidazolo[1,2-a]quinoline-10-carbonitrile.

Molecular Properties

Compound Namebenzimidazolo[1,2-a]quinoline-10-carbonitrile
PubChem CID23656276
Molecular FormulaC16H9N3
Molecular Weight243.27 g/mol
Exact Mass243.08
IUPAC Namebenzimidazolo[1,2-a]quinoline-10-carbonitrile
SMILESN#Cc1ccc2nc3ccc4ccccc4n3c2c1
InChIInChI=1S/C16H9N3/c17-10-11-5-7-13-15(9-11)19-14-4-2-1-3-12(14)6-8-16(19)18-13/h1-9H
InChIKeyVWZNXCPFKGEPRL-UHFFFAOYSA-N
XLogP3.51
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzimidazolo[1,2-a]quinoline-10-carbonitrile?
The IUPAC name of benzimidazolo[1,2-a]quinoline-10-carbonitrile (CID 23656276) is benzimidazolo[1,2-a]quinoline-10-carbonitrile.
What is the SMILES notation for benzimidazolo[1,2-a]quinoline-10-carbonitrile?
The canonical SMILES for benzimidazolo[1,2-a]quinoline-10-carbonitrile is N#Cc1ccc2nc3ccc4ccccc4n3c2c1.
What is the InChIKey of benzimidazolo[1,2-a]quinoline-10-carbonitrile?
The InChIKey is VWZNXCPFKGEPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9N3/c17-10-11-5-7-13-15(9-11)19-14-4-2-1-3-12(14)6-8-16(19)18-13/h1-9H.
What are the key properties of benzimidazolo[1,2-a]quinoline-10-carbonitrile?
benzimidazolo[1,2-a]quinoline-10-carbonitrile has a molecular weight of 243.27 g/mol, XLogP of 3.51, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzimidazolo[1,2-a]quinoline-10-carbonitrile is sourced from PubChem (CID 23656276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).