1-(2H-pyran-2-yl)benzimidazole

C12H10N2O — CID 67294190

IUPAC1-(2H-pyran-2-yl)benzimidazole
SMILESC1=COC(n2cnc3ccccc32)C=C1
InChIInChI=1S/C12H10N2O/c1-2-6-11-10(5-1)13-9-14(11)12-7-3-4-8-15-12/h1-9,12H
InChIKeyAGIGZFPNJDDTPO-UHFFFAOYSA-N
MW198.23 g/mol
LogP2.63
Rot. Bonds1

About 1-(2H-pyran-2-yl)benzimidazole

1-(2H-pyran-2-yl)benzimidazole (PubChem CID 67294190) has the molecular formula C12H10N2O and a molecular weight of 198.23 g/mol. Its IUPAC name is 1-(2H-pyran-2-yl)benzimidazole.

Molecular Properties

Compound Name1-(2H-pyran-2-yl)benzimidazole
PubChem CID67294190
Molecular FormulaC12H10N2O
Molecular Weight198.23 g/mol
Exact Mass198.08
IUPAC Name1-(2H-pyran-2-yl)benzimidazole
SMILESC1=COC(n2cnc3ccccc32)C=C1
InChIInChI=1S/C12H10N2O/c1-2-6-11-10(5-1)13-9-14(11)12-7-3-4-8-15-12/h1-9,12H
InChIKeyAGIGZFPNJDDTPO-UHFFFAOYSA-N
XLogP2.63
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2H-pyran-2-yl)benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2H-pyran-2-yl)benzimidazole?
The IUPAC name of 1-(2H-pyran-2-yl)benzimidazole (CID 67294190) is 1-(2H-pyran-2-yl)benzimidazole.
What is the SMILES notation for 1-(2H-pyran-2-yl)benzimidazole?
The canonical SMILES for 1-(2H-pyran-2-yl)benzimidazole is C1=COC(n2cnc3ccccc32)C=C1.
What is the InChIKey of 1-(2H-pyran-2-yl)benzimidazole?
The InChIKey is AGIGZFPNJDDTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c1-2-6-11-10(5-1)13-9-14(11)12-7-3-4-8-15-12/h1-9,12H.
What are the key properties of 1-(2H-pyran-2-yl)benzimidazole?
1-(2H-pyran-2-yl)benzimidazole has a molecular weight of 198.23 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-pyran-2-yl)benzimidazole is sourced from PubChem (CID 67294190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).