1-(2-cyclohexyloxyethoxy)-2-phenylbenzimidazole

C21H24N2O2 — CID 69420518

IUPAC1-(2-cyclohexyloxyethoxy)-2-phenylbenzimidazole
SMILESc1ccc(-c2nc3ccccc3n2OCCOC2CCCCC2)cc1
InChIInChI=1S/C21H24N2O2/c1-3-9-17(10-4-1)21-22-19-13-7-8-14-20(19)23(21)25-16-15-24-18-11-5-2-6-12-18/h1,3-4,7-10,13-14,18H,2,5-6,11-12,15-16H2
InChIKeyXMXWFUCDQGAMGH-UHFFFAOYSA-N
MW336.43 g/mol
LogP4.48
Rot. Bonds6

About 1-(2-cyclohexyloxyethoxy)-2-phenylbenzimidazole

1-(2-cyclohexyloxyethoxy)-2-phenylbenzimidazole (PubChem CID 69420518) has the molecular formula C21H24N2O2 and a molecular weight of 336.43 g/mol. Its IUPAC name is 1-(2-cyclohexyloxyethoxy)-2-phenylbenzimidazole.

Molecular Properties

Compound Name1-(2-cyclohexyloxyethoxy)-2-phenylbenzimidazole
PubChem CID69420518
Molecular FormulaC21H24N2O2
Molecular Weight336.43 g/mol
Exact Mass336.18
IUPAC Name1-(2-cyclohexyloxyethoxy)-2-phenylbenzimidazole
SMILESc1ccc(-c2nc3ccccc3n2OCCOC2CCCCC2)cc1
InChIInChI=1S/C21H24N2O2/c1-3-9-17(10-4-1)21-22-19-13-7-8-14-20(19)23(21)25-16-15-24-18-11-5-2-6-12-18/h1,3-4,7-10,13-14,18H,2,5-6,11-12,15-16H2
InChIKeyXMXWFUCDQGAMGH-UHFFFAOYSA-N
XLogP4.48
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyloxyethoxy)-2-phenylbenzimidazole?
The IUPAC name of 1-(2-cyclohexyloxyethoxy)-2-phenylbenzimidazole (CID 69420518) is 1-(2-cyclohexyloxyethoxy)-2-phenylbenzimidazole.
What is the SMILES notation for 1-(2-cyclohexyloxyethoxy)-2-phenylbenzimidazole?
The canonical SMILES for 1-(2-cyclohexyloxyethoxy)-2-phenylbenzimidazole is c1ccc(-c2nc3ccccc3n2OCCOC2CCCCC2)cc1.
What is the InChIKey of 1-(2-cyclohexyloxyethoxy)-2-phenylbenzimidazole?
The InChIKey is XMXWFUCDQGAMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-3-9-17(10-4-1)21-22-19-13-7-8-14-20(19)23(21)25-16-15-24-18-11-5-2-6-12-18/h1,3-4,7-10,13-14,18H,2,5-6,11-12,15-16H2.
What are the key properties of 1-(2-cyclohexyloxyethoxy)-2-phenylbenzimidazole?
1-(2-cyclohexyloxyethoxy)-2-phenylbenzimidazole has a molecular weight of 336.43 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyloxyethoxy)-2-phenylbenzimidazole is sourced from PubChem (CID 69420518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).