5-(benzimidazol-1-ylmethyl)-2-phenyl-1,3-oxazole

C17H13N3O — CID 56688670

IUPAC5-(benzimidazol-1-ylmethyl)-2-phenyl-1,3-oxazole
SMILESc1ccc(-c2ncc(Cn3cnc4ccccc43)o2)cc1
InChIInChI=1S/C17H13N3O/c1-2-6-13(7-3-1)17-18-10-14(21-17)11-20-12-19-15-8-4-5-9-16(15)20/h1-10,12H,11H2
InChIKeyLDFVEGWDVLZWPN-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.74
Rot. Bonds3

About 5-(benzimidazol-1-ylmethyl)-2-phenyl-1,3-oxazole

5-(benzimidazol-1-ylmethyl)-2-phenyl-1,3-oxazole (PubChem CID 56688670) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 5-(benzimidazol-1-ylmethyl)-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name5-(benzimidazol-1-ylmethyl)-2-phenyl-1,3-oxazole
PubChem CID56688670
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name5-(benzimidazol-1-ylmethyl)-2-phenyl-1,3-oxazole
SMILESc1ccc(-c2ncc(Cn3cnc4ccccc43)o2)cc1
InChIInChI=1S/C17H13N3O/c1-2-6-13(7-3-1)17-18-10-14(21-17)11-20-12-19-15-8-4-5-9-16(15)20/h1-10,12H,11H2
InChIKeyLDFVEGWDVLZWPN-UHFFFAOYSA-N
XLogP3.74
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(benzimidazol-1-ylmethyl)-2-phenyl-1,3-oxazole?
The IUPAC name of 5-(benzimidazol-1-ylmethyl)-2-phenyl-1,3-oxazole (CID 56688670) is 5-(benzimidazol-1-ylmethyl)-2-phenyl-1,3-oxazole.
What is the SMILES notation for 5-(benzimidazol-1-ylmethyl)-2-phenyl-1,3-oxazole?
The canonical SMILES for 5-(benzimidazol-1-ylmethyl)-2-phenyl-1,3-oxazole is c1ccc(-c2ncc(Cn3cnc4ccccc43)o2)cc1.
What is the InChIKey of 5-(benzimidazol-1-ylmethyl)-2-phenyl-1,3-oxazole?
The InChIKey is LDFVEGWDVLZWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c1-2-6-13(7-3-1)17-18-10-14(21-17)11-20-12-19-15-8-4-5-9-16(15)20/h1-10,12H,11H2.
What are the key properties of 5-(benzimidazol-1-ylmethyl)-2-phenyl-1,3-oxazole?
5-(benzimidazol-1-ylmethyl)-2-phenyl-1,3-oxazole has a molecular weight of 275.31 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzimidazol-1-ylmethyl)-2-phenyl-1,3-oxazole is sourced from PubChem (CID 56688670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).