2-[(2S)-oxolan-2-yl]-1-(3-phenoxypropyl)benzimidazole

C20H22N2O2 — CID 51430251

IUPAC2-[(2S)-oxolan-2-yl]-1-(3-phenoxypropyl)benzimidazole
SMILESc1ccc(OCCCn2c([C@@H]3CCCO3)nc3ccccc32)cc1
InChIInChI=1S/C20H22N2O2/c1-2-8-16(9-3-1)23-15-7-13-22-18-11-5-4-10-17(18)21-20(22)19-12-6-14-24-19/h1-5,8-11,19H,6-7,12-15H2/t19-/m0/s1
InChIKeyRTESZEKANIAJBC-IBGZPJMESA-N
MW322.41 g/mol
LogP4.36
Rot. Bonds6

About 2-[(2S)-oxolan-2-yl]-1-(3-phenoxypropyl)benzimidazole

2-[(2S)-oxolan-2-yl]-1-(3-phenoxypropyl)benzimidazole (PubChem CID 51430251) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-[(2S)-oxolan-2-yl]-1-(3-phenoxypropyl)benzimidazole.

Molecular Properties

Compound Name2-[(2S)-oxolan-2-yl]-1-(3-phenoxypropyl)benzimidazole
PubChem CID51430251
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name2-[(2S)-oxolan-2-yl]-1-(3-phenoxypropyl)benzimidazole
SMILESc1ccc(OCCCn2c([C@@H]3CCCO3)nc3ccccc32)cc1
InChIInChI=1S/C20H22N2O2/c1-2-8-16(9-3-1)23-15-7-13-22-18-11-5-4-10-17(18)21-20(22)19-12-6-14-24-19/h1-5,8-11,19H,6-7,12-15H2/t19-/m0/s1
InChIKeyRTESZEKANIAJBC-IBGZPJMESA-N
XLogP4.36
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.36
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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Related Compounds

1-[4-(4-methylphenoxy)butyl]-2-(oxolan-2-yl)benzimidazole
CID 17000130
1-[3-(3,4-dimethylphenoxy)propyl]-2-(oxolan-2-yl)benzimidazole
CID 17000070
2-cyclopropyl-1-(3-phenoxypropyl)benzimidazole;hydrochloride
CID 16615456
2-cyclopropyl-1-(4-phenoxybutyl)benzimidazole
CID 18878621
1-(2-cyclohexylethyl)-2-(oxolan-2-yl)benzimidazole
CID 5298183
1-[(2R)-2-[1-(3-phenoxypropyl)benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 92735897
N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974054
1-(4-fluorophenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol
CID 138960724
2-[2-[(2R)-oxolan-2-yl]benzimidazol-1-yl]acetamide
CID 39730241
1-cyclohexyl-4-[1-(3-phenoxypropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17005345
1-(2-bromoprop-2-enyl)-2-(oxolan-2-yl)benzimidazole;hydrochloride
CID 90485862
2-cyclohexyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole
CID 16996621

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-oxolan-2-yl]-1-(3-phenoxypropyl)benzimidazole?
The IUPAC name of 2-[(2S)-oxolan-2-yl]-1-(3-phenoxypropyl)benzimidazole (CID 51430251) is 2-[(2S)-oxolan-2-yl]-1-(3-phenoxypropyl)benzimidazole.
What is the SMILES notation for 2-[(2S)-oxolan-2-yl]-1-(3-phenoxypropyl)benzimidazole?
The canonical SMILES for 2-[(2S)-oxolan-2-yl]-1-(3-phenoxypropyl)benzimidazole is c1ccc(OCCCn2c([C@@H]3CCCO3)nc3ccccc32)cc1.
What is the InChIKey of 2-[(2S)-oxolan-2-yl]-1-(3-phenoxypropyl)benzimidazole?
The InChIKey is RTESZEKANIAJBC-IBGZPJMESA-N. The full InChI is InChI=1S/C20H22N2O2/c1-2-8-16(9-3-1)23-15-7-13-22-18-11-5-4-10-17(18)21-20(22)19-12-6-14-24-19/h1-5,8-11,19H,6-7,12-15H2/t19-/m0/s1.
What are the key properties of 2-[(2S)-oxolan-2-yl]-1-(3-phenoxypropyl)benzimidazole?
2-[(2S)-oxolan-2-yl]-1-(3-phenoxypropyl)benzimidazole has a molecular weight of 322.41 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-oxolan-2-yl]-1-(3-phenoxypropyl)benzimidazole is sourced from PubChem (CID 51430251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).