pyrido[1,2-a]benzimidazole-3-carbaldehyde

C12H8N2O — CID 172676195

IUPACpyrido[1,2-a]benzimidazole-3-carbaldehyde
SMILESO=Cc1ccn2c(c1)nc1ccccc12
InChIInChI=1S/C12H8N2O/c15-8-9-5-6-14-11-4-2-1-3-10(11)13-12(14)7-9/h1-8H
InChIKeyWTUMMOHWRXBZNX-UHFFFAOYSA-N
MW196.21 g/mol
LogP2.30
Rot. Bonds1

About pyrido[1,2-a]benzimidazole-3-carbaldehyde

pyrido[1,2-a]benzimidazole-3-carbaldehyde (PubChem CID 172676195) has the molecular formula C12H8N2O and a molecular weight of 196.21 g/mol. Its IUPAC name is pyrido[1,2-a]benzimidazole-3-carbaldehyde.

Molecular Properties

Compound Namepyrido[1,2-a]benzimidazole-3-carbaldehyde
PubChem CID172676195
Molecular FormulaC12H8N2O
Molecular Weight196.21 g/mol
Exact Mass196.06
IUPAC Namepyrido[1,2-a]benzimidazole-3-carbaldehyde
SMILESO=Cc1ccn2c(c1)nc1ccccc12
InChIInChI=1S/C12H8N2O/c15-8-9-5-6-14-11-4-2-1-3-10(11)13-12(14)7-9/h1-8H
InChIKeyWTUMMOHWRXBZNX-UHFFFAOYSA-N
XLogP2.30
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pyrido[1,2-a]benzimidazole-3-carbaldehyde?
The IUPAC name of pyrido[1,2-a]benzimidazole-3-carbaldehyde (CID 172676195) is pyrido[1,2-a]benzimidazole-3-carbaldehyde.
What is the SMILES notation for pyrido[1,2-a]benzimidazole-3-carbaldehyde?
The canonical SMILES for pyrido[1,2-a]benzimidazole-3-carbaldehyde is O=Cc1ccn2c(c1)nc1ccccc12.
What is the InChIKey of pyrido[1,2-a]benzimidazole-3-carbaldehyde?
The InChIKey is WTUMMOHWRXBZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O/c15-8-9-5-6-14-11-4-2-1-3-10(11)13-12(14)7-9/h1-8H.
What are the key properties of pyrido[1,2-a]benzimidazole-3-carbaldehyde?
pyrido[1,2-a]benzimidazole-3-carbaldehyde has a molecular weight of 196.21 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrido[1,2-a]benzimidazole-3-carbaldehyde is sourced from PubChem (CID 172676195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).