5-(oxiran-2-ylmethoxy)-1-phenylbenzimidazole

C16H14N2O2 — CID 5328503

IUPAC5-(oxiran-2-ylmethoxy)-1-phenylbenzimidazole
SMILESc1ccc(-n2cnc3cc(OCC4CO4)ccc32)cc1
InChIInChI=1S/C16H14N2O2/c1-2-4-12(5-3-1)18-11-17-15-8-13(6-7-16(15)18)19-9-14-10-20-14/h1-8,11,14H,9-10H2
InChIKeyROUJVMUSWKHDGG-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.80
Rot. Bonds4

About 5-(oxiran-2-ylmethoxy)-1-phenylbenzimidazole

5-(oxiran-2-ylmethoxy)-1-phenylbenzimidazole (PubChem CID 5328503) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-(oxiran-2-ylmethoxy)-1-phenylbenzimidazole.

Molecular Properties

Compound Name5-(oxiran-2-ylmethoxy)-1-phenylbenzimidazole
PubChem CID5328503
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name5-(oxiran-2-ylmethoxy)-1-phenylbenzimidazole
SMILESc1ccc(-n2cnc3cc(OCC4CO4)ccc32)cc1
InChIInChI=1S/C16H14N2O2/c1-2-4-12(5-3-1)18-11-17-15-8-13(6-7-16(15)18)19-9-14-10-20-14/h1-8,11,14H,9-10H2
InChIKeyROUJVMUSWKHDGG-UHFFFAOYSA-N
XLogP2.80
TPSA39.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(oxiran-2-ylmethoxy)-1-phenylbenzimidazole?
The IUPAC name of 5-(oxiran-2-ylmethoxy)-1-phenylbenzimidazole (CID 5328503) is 5-(oxiran-2-ylmethoxy)-1-phenylbenzimidazole.
What is the SMILES notation for 5-(oxiran-2-ylmethoxy)-1-phenylbenzimidazole?
The canonical SMILES for 5-(oxiran-2-ylmethoxy)-1-phenylbenzimidazole is c1ccc(-n2cnc3cc(OCC4CO4)ccc32)cc1.
What is the InChIKey of 5-(oxiran-2-ylmethoxy)-1-phenylbenzimidazole?
The InChIKey is ROUJVMUSWKHDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-2-4-12(5-3-1)18-11-17-15-8-13(6-7-16(15)18)19-9-14-10-20-14/h1-8,11,14H,9-10H2.
What are the key properties of 5-(oxiran-2-ylmethoxy)-1-phenylbenzimidazole?
5-(oxiran-2-ylmethoxy)-1-phenylbenzimidazole has a molecular weight of 266.30 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxiran-2-ylmethoxy)-1-phenylbenzimidazole is sourced from PubChem (CID 5328503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).