[1-[3-(1,2-oxazol-3-yl)phenyl]benzimidazol-5-yl]methanol

C17H13N3O2 — CID 11426321

IUPAC[1-[3-(1,2-oxazol-3-yl)phenyl]benzimidazol-5-yl]methanol
SMILESOCc1ccc2c(c1)ncn2-c1cccc(-c2ccon2)c1
InChIInChI=1S/C17H13N3O2/c21-10-12-4-5-17-16(8-12)18-11-20(17)14-3-1-2-13(9-14)15-6-7-22-19-15/h1-9,11,21H,10H2
InChIKeyNNXQGHWHZRHYBS-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.17
Rot. Bonds3

About [1-[3-(1,2-oxazol-3-yl)phenyl]benzimidazol-5-yl]methanol

[1-[3-(1,2-oxazol-3-yl)phenyl]benzimidazol-5-yl]methanol (PubChem CID 11426321) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is [1-[3-(1,2-oxazol-3-yl)phenyl]benzimidazol-5-yl]methanol.

Molecular Properties

Compound Name[1-[3-(1,2-oxazol-3-yl)phenyl]benzimidazol-5-yl]methanol
PubChem CID11426321
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name[1-[3-(1,2-oxazol-3-yl)phenyl]benzimidazol-5-yl]methanol
SMILESOCc1ccc2c(c1)ncn2-c1cccc(-c2ccon2)c1
InChIInChI=1S/C17H13N3O2/c21-10-12-4-5-17-16(8-12)18-11-20(17)14-3-1-2-13(9-14)15-6-7-22-19-15/h1-9,11,21H,10H2
InChIKeyNNXQGHWHZRHYBS-UHFFFAOYSA-N
XLogP3.17
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(1,2-oxazol-3-yl)phenyl]benzimidazol-5-yl]methanol?
The IUPAC name of [1-[3-(1,2-oxazol-3-yl)phenyl]benzimidazol-5-yl]methanol (CID 11426321) is [1-[3-(1,2-oxazol-3-yl)phenyl]benzimidazol-5-yl]methanol.
What is the SMILES notation for [1-[3-(1,2-oxazol-3-yl)phenyl]benzimidazol-5-yl]methanol?
The canonical SMILES for [1-[3-(1,2-oxazol-3-yl)phenyl]benzimidazol-5-yl]methanol is OCc1ccc2c(c1)ncn2-c1cccc(-c2ccon2)c1.
What is the InChIKey of [1-[3-(1,2-oxazol-3-yl)phenyl]benzimidazol-5-yl]methanol?
The InChIKey is NNXQGHWHZRHYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c21-10-12-4-5-17-16(8-12)18-11-20(17)14-3-1-2-13(9-14)15-6-7-22-19-15/h1-9,11,21H,10H2.
What are the key properties of [1-[3-(1,2-oxazol-3-yl)phenyl]benzimidazol-5-yl]methanol?
[1-[3-(1,2-oxazol-3-yl)phenyl]benzimidazol-5-yl]methanol has a molecular weight of 291.31 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(1,2-oxazol-3-yl)phenyl]benzimidazol-5-yl]methanol is sourced from PubChem (CID 11426321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).