5-methyl-3-[[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]methyl]-1,2-oxazole

C18H16N4O — CID 139077569

IUPAC5-methyl-3-[[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]methyl]-1,2-oxazole
SMILESCc1cc(Cc2nc3ccccc3n2Cc2ccccn2)no1
InChIInChI=1S/C18H16N4O/c1-13-10-15(21-23-13)11-18-20-16-7-2-3-8-17(16)22(18)12-14-6-4-5-9-19-14/h2-10H,11-12H2,1H3
InChIKeyBAGPERXSPXOMEP-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.37
Rot. Bonds4

About 5-methyl-3-[[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]methyl]-1,2-oxazole

5-methyl-3-[[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]methyl]-1,2-oxazole (PubChem CID 139077569) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 5-methyl-3-[[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]methyl]-1,2-oxazole
PubChem CID139077569
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name5-methyl-3-[[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]methyl]-1,2-oxazole
SMILESCc1cc(Cc2nc3ccccc3n2Cc2ccccn2)no1
InChIInChI=1S/C18H16N4O/c1-13-10-15(21-23-13)11-18-20-16-7-2-3-8-17(16)22(18)12-14-6-4-5-9-19-14/h2-10H,11-12H2,1H3
InChIKeyBAGPERXSPXOMEP-UHFFFAOYSA-N
XLogP3.37
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-methyl-3-[[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]methyl]-1,2-oxazole 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 5-methyl-3-[[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]methyl]-1,2-oxazole (CID 139077569) is 5-methyl-3-[[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]methyl]-1,2-oxazole is Cc1cc(Cc2nc3ccccc3n2Cc2ccccn2)no1.
What is the InChIKey of 5-methyl-3-[[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]methyl]-1,2-oxazole?
The InChIKey is BAGPERXSPXOMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-13-10-15(21-23-13)11-18-20-16-7-2-3-8-17(16)22(18)12-14-6-4-5-9-19-14/h2-10H,11-12H2,1H3.
What are the key properties of 5-methyl-3-[[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]methyl]-1,2-oxazole?
5-methyl-3-[[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]methyl]-1,2-oxazole has a molecular weight of 304.35 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 139077569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).