2-[2-(oxolan-2-yl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide

C21H23N3O2 — CID 17033298

IUPAC2-[2-(oxolan-2-yl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)Cn1c(C2CCCO2)nc2ccccc21)c1ccccc1
InChIInChI=1S/C21H23N3O2/c1-15(16-8-3-2-4-9-16)22-20(25)14-24-18-11-6-5-10-17(18)23-21(24)19-12-7-13-26-19/h2-6,8-11,15,19H,7,12-14H2,1H3,(H,22,25)
InChIKeyBQJCXFMEUNSIFV-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.77
Rot. Bonds5

About 2-[2-(oxolan-2-yl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide

2-[2-(oxolan-2-yl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide (PubChem CID 17033298) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-[2-(oxolan-2-yl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[2-(oxolan-2-yl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
PubChem CID17033298
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-[2-(oxolan-2-yl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)Cn1c(C2CCCO2)nc2ccccc21)c1ccccc1
InChIInChI=1S/C21H23N3O2/c1-15(16-8-3-2-4-9-16)22-20(25)14-24-18-11-6-5-10-17(18)23-21(24)19-12-7-13-26-19/h2-6,8-11,15,19H,7,12-14H2,1H3,(H,22,25)
InChIKeyBQJCXFMEUNSIFV-UHFFFAOYSA-N
XLogP3.77
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide
CID 17033297
2-[2-[(2R)-oxolan-2-yl]benzimidazol-1-yl]acetamide
CID 39730241
N-(2-chlorophenyl)-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide
CID 17033270
ethyl 2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetate
CID 17000123
2-[(2S)-oxolan-2-yl]-1-[(1S)-1-phenylethyl]benzimidazole
CID 40692544
N,N-dicyclohexyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide
CID 17000129
1-(2-bromoprop-2-enyl)-2-(oxolan-2-yl)benzimidazole;hydrochloride
CID 90485862
N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 17030116
2-[2-(methoxymethyl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
CID 17028848
2-methyl-N-[[1-[2-oxo-2-(1-phenylethylamino)ethyl]benzimidazol-2-yl]methyl]propanamide
CID 17029092
N-benzyl-N-cyclohexyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide
CID 17000112
N-[2-[1-[2-oxo-2-(1-phenylethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030691

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxolan-2-yl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[2-(oxolan-2-yl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide (CID 17033298) is 2-[2-(oxolan-2-yl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[2-(oxolan-2-yl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[2-(oxolan-2-yl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide is CC(NC(=O)Cn1c(C2CCCO2)nc2ccccc21)c1ccccc1.
What is the InChIKey of 2-[2-(oxolan-2-yl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide?
The InChIKey is BQJCXFMEUNSIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15(16-8-3-2-4-9-16)22-20(25)14-24-18-11-6-5-10-17(18)23-21(24)19-12-7-13-26-19/h2-6,8-11,15,19H,7,12-14H2,1H3,(H,22,25).
What are the key properties of 2-[2-(oxolan-2-yl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide?
2-[2-(oxolan-2-yl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide has a molecular weight of 349.43 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxolan-2-yl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 17033298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).