3-[1-(3-pyrimidin-4-ylphenyl)benzimidazol-5-yl]-1,2-oxazole

C20H13N5O — CID 54460661

IUPAC3-[1-(3-pyrimidin-4-ylphenyl)benzimidazol-5-yl]-1,2-oxazole
SMILESc1cc(-c2ccncn2)cc(-n2cnc3cc(-c4ccon4)ccc32)c1
InChIInChI=1S/C20H13N5O/c1-2-14(17-6-8-21-12-22-17)10-16(3-1)25-13-23-19-11-15(4-5-20(19)25)18-7-9-26-24-18/h1-13H
InChIKeyXBJKGKPNLHHWPF-UHFFFAOYSA-N
MW339.36 g/mol
LogP4.14
Rot. Bonds3

About 3-[1-(3-pyrimidin-4-ylphenyl)benzimidazol-5-yl]-1,2-oxazole

3-[1-(3-pyrimidin-4-ylphenyl)benzimidazol-5-yl]-1,2-oxazole (PubChem CID 54460661) has the molecular formula C20H13N5O and a molecular weight of 339.36 g/mol. Its IUPAC name is 3-[1-(3-pyrimidin-4-ylphenyl)benzimidazol-5-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-[1-(3-pyrimidin-4-ylphenyl)benzimidazol-5-yl]-1,2-oxazole
PubChem CID54460661
Molecular FormulaC20H13N5O
Molecular Weight339.36 g/mol
Exact Mass339.11
IUPAC Name3-[1-(3-pyrimidin-4-ylphenyl)benzimidazol-5-yl]-1,2-oxazole
SMILESc1cc(-c2ccncn2)cc(-n2cnc3cc(-c4ccon4)ccc32)c1
InChIInChI=1S/C20H13N5O/c1-2-14(17-6-8-21-12-22-17)10-16(3-1)25-13-23-19-11-15(4-5-20(19)25)18-7-9-26-24-18/h1-13H
InChIKeyXBJKGKPNLHHWPF-UHFFFAOYSA-N
XLogP4.14
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[1-(3-pyrimidin-4-ylphenyl)benzimidazol-5-yl]-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 3-[1-(3-pyrimidin-4-ylphenyl)benzimidazol-5-yl]-1,2-oxazole?
The IUPAC name of 3-[1-(3-pyrimidin-4-ylphenyl)benzimidazol-5-yl]-1,2-oxazole (CID 54460661) is 3-[1-(3-pyrimidin-4-ylphenyl)benzimidazol-5-yl]-1,2-oxazole.
What is the SMILES notation for 3-[1-(3-pyrimidin-4-ylphenyl)benzimidazol-5-yl]-1,2-oxazole?
The canonical SMILES for 3-[1-(3-pyrimidin-4-ylphenyl)benzimidazol-5-yl]-1,2-oxazole is c1cc(-c2ccncn2)cc(-n2cnc3cc(-c4ccon4)ccc32)c1.
What is the InChIKey of 3-[1-(3-pyrimidin-4-ylphenyl)benzimidazol-5-yl]-1,2-oxazole?
The InChIKey is XBJKGKPNLHHWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N5O/c1-2-14(17-6-8-21-12-22-17)10-16(3-1)25-13-23-19-11-15(4-5-20(19)25)18-7-9-26-24-18/h1-13H.
What are the key properties of 3-[1-(3-pyrimidin-4-ylphenyl)benzimidazol-5-yl]-1,2-oxazole?
3-[1-(3-pyrimidin-4-ylphenyl)benzimidazol-5-yl]-1,2-oxazole has a molecular weight of 339.36 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-pyrimidin-4-ylphenyl)benzimidazol-5-yl]-1,2-oxazole is sourced from PubChem (CID 54460661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).