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

C18H15N3O2 — CID 11150888

IUPAC1-[1-[3-(1,2-oxazol-3-yl)phenyl]benzimidazol-5-yl]ethanol
SMILESCC(O)c1ccc2c(c1)ncn2-c1cccc(-c2ccon2)c1
InChIInChI=1S/C18H15N3O2/c1-12(22)13-5-6-18-17(10-13)19-11-21(18)15-4-2-3-14(9-15)16-7-8-23-20-16/h2-12,22H,1H3
InChIKeyUDMPSBHUWCPDST-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.73
Rot. Bonds3

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

1-[1-[3-(1,2-oxazol-3-yl)phenyl]benzimidazol-5-yl]ethanol (PubChem CID 11150888) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 1-[1-[3-(1,2-oxazol-3-yl)phenyl]benzimidazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[1-[3-(1,2-oxazol-3-yl)phenyl]benzimidazol-5-yl]ethanol
PubChem CID11150888
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name1-[1-[3-(1,2-oxazol-3-yl)phenyl]benzimidazol-5-yl]ethanol
SMILESCC(O)c1ccc2c(c1)ncn2-c1cccc(-c2ccon2)c1
InChIInChI=1S/C18H15N3O2/c1-12(22)13-5-6-18-17(10-13)19-11-21(18)15-4-2-3-14(9-15)16-7-8-23-20-16/h2-12,22H,1H3
InChIKeyUDMPSBHUWCPDST-UHFFFAOYSA-N
XLogP3.73
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(1,2-oxazol-3-yl)phenyl]benzimidazol-5-yl]ethanol?
The IUPAC name of 1-[1-[3-(1,2-oxazol-3-yl)phenyl]benzimidazol-5-yl]ethanol (CID 11150888) is 1-[1-[3-(1,2-oxazol-3-yl)phenyl]benzimidazol-5-yl]ethanol.
What is the SMILES notation for 1-[1-[3-(1,2-oxazol-3-yl)phenyl]benzimidazol-5-yl]ethanol?
The canonical SMILES for 1-[1-[3-(1,2-oxazol-3-yl)phenyl]benzimidazol-5-yl]ethanol is CC(O)c1ccc2c(c1)ncn2-c1cccc(-c2ccon2)c1.
What is the InChIKey of 1-[1-[3-(1,2-oxazol-3-yl)phenyl]benzimidazol-5-yl]ethanol?
The InChIKey is UDMPSBHUWCPDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-12(22)13-5-6-18-17(10-13)19-11-21(18)15-4-2-3-14(9-15)16-7-8-23-20-16/h2-12,22H,1H3.
What are the key properties of 1-[1-[3-(1,2-oxazol-3-yl)phenyl]benzimidazol-5-yl]ethanol?
1-[1-[3-(1,2-oxazol-3-yl)phenyl]benzimidazol-5-yl]ethanol has a molecular weight of 305.34 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(1,2-oxazol-3-yl)phenyl]benzimidazol-5-yl]ethanol is sourced from PubChem (CID 11150888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).