2-[(2S)-oxolan-2-yl]-1-[(1S)-1-phenylethyl]benzimidazole

C19H20N2O — CID 40692544

IUPAC2-[(2S)-oxolan-2-yl]-1-[(1S)-1-phenylethyl]benzimidazole
SMILESC[C@@H](c1ccccc1)n1c([C@@H]2CCCO2)nc2ccccc21
InChIInChI=1S/C19H20N2O/c1-14(15-8-3-2-4-9-15)21-17-11-6-5-10-16(17)20-19(21)18-12-7-13-22-18/h2-6,8-11,14,18H,7,12-13H2,1H3/t14-,18-/m0/s1
InChIKeyVUWRRFRZMYWDRX-KSSFIOAISA-N
MW292.38 g/mol
LogP4.50
Rot. Bonds3

About 2-[(2S)-oxolan-2-yl]-1-[(1S)-1-phenylethyl]benzimidazole

2-[(2S)-oxolan-2-yl]-1-[(1S)-1-phenylethyl]benzimidazole (PubChem CID 40692544) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[(2S)-oxolan-2-yl]-1-[(1S)-1-phenylethyl]benzimidazole.

Molecular Properties

Compound Name2-[(2S)-oxolan-2-yl]-1-[(1S)-1-phenylethyl]benzimidazole
PubChem CID40692544
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name2-[(2S)-oxolan-2-yl]-1-[(1S)-1-phenylethyl]benzimidazole
SMILESC[C@@H](c1ccccc1)n1c([C@@H]2CCCO2)nc2ccccc21
InChIInChI=1S/C19H20N2O/c1-14(15-8-3-2-4-9-15)21-17-11-6-5-10-16(17)20-19(21)18-12-7-13-22-18/h2-6,8-11,14,18H,7,12-13H2,1H3/t14-,18-/m0/s1
InChIKeyVUWRRFRZMYWDRX-KSSFIOAISA-N
XLogP4.50
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(oxolan-2-yl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
CID 17033298
1-(1-phenylethyl)-2-propan-2-ylbenzimidazole
CID 3623918
1-(2-cyclohexylethyl)-2-(oxolan-2-yl)benzimidazole
CID 5298183
2-[2-[(2R)-oxolan-2-yl]benzimidazol-1-yl]acetamide
CID 39730241
2-[(2S)-oxolan-2-yl]-1-(3-phenoxypropyl)benzimidazole
CID 51430251
1-(2-bromoprop-2-enyl)-2-(oxolan-2-yl)benzimidazole;hydrochloride
CID 90485862
(4S)-1-(4-fluorophenyl)-4-[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40698966
ethyl 2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetate
CID 17000123
2-ethyl-1-[(1R)-1-phenylethyl]benzimidazole
CID 962439
1-(2-chlorophenyl)-4-[1-(1-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 18889252
N-benzyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide
CID 17033297
2-(4-methylphenyl)-1-(1-phenylethyl)benzimidazole
CID 18878803

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-oxolan-2-yl]-1-[(1S)-1-phenylethyl]benzimidazole?
The IUPAC name of 2-[(2S)-oxolan-2-yl]-1-[(1S)-1-phenylethyl]benzimidazole (CID 40692544) is 2-[(2S)-oxolan-2-yl]-1-[(1S)-1-phenylethyl]benzimidazole.
What is the SMILES notation for 2-[(2S)-oxolan-2-yl]-1-[(1S)-1-phenylethyl]benzimidazole?
The canonical SMILES for 2-[(2S)-oxolan-2-yl]-1-[(1S)-1-phenylethyl]benzimidazole is C[C@@H](c1ccccc1)n1c([C@@H]2CCCO2)nc2ccccc21.
What is the InChIKey of 2-[(2S)-oxolan-2-yl]-1-[(1S)-1-phenylethyl]benzimidazole?
The InChIKey is VUWRRFRZMYWDRX-KSSFIOAISA-N. The full InChI is InChI=1S/C19H20N2O/c1-14(15-8-3-2-4-9-15)21-17-11-6-5-10-16(17)20-19(21)18-12-7-13-22-18/h2-6,8-11,14,18H,7,12-13H2,1H3/t14-,18-/m0/s1.
What are the key properties of 2-[(2S)-oxolan-2-yl]-1-[(1S)-1-phenylethyl]benzimidazole?
2-[(2S)-oxolan-2-yl]-1-[(1S)-1-phenylethyl]benzimidazole has a molecular weight of 292.38 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-oxolan-2-yl]-1-[(1S)-1-phenylethyl]benzimidazole is sourced from PubChem (CID 40692544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).