(1R)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]propan-1-ol

C19H22N2O2 — CID 40699156

IUPAC(1R)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]propan-1-ol
SMILESCC[C@@H](O)c1nc2ccccc2n1CCCOc1ccccc1
InChIInChI=1S/C19H22N2O2/c1-2-18(22)19-20-16-11-6-7-12-17(16)21(19)13-8-14-23-15-9-4-3-5-10-15/h3-7,9-12,18,22H,2,8,13-14H2,1H3/t18-/m1/s1
InChIKeyBQJGAGGLGXXGRZ-GOSISDBHSA-N
MW310.40 g/mol
LogP3.95
Rot. Bonds7

About (1R)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]propan-1-ol

(1R)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]propan-1-ol (PubChem CID 40699156) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (1R)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]propan-1-ol
PubChem CID40699156
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(1R)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]propan-1-ol
SMILESCC[C@@H](O)c1nc2ccccc2n1CCCOc1ccccc1
InChIInChI=1S/C19H22N2O2/c1-2-18(22)19-20-16-11-6-7-12-17(16)21(19)13-8-14-23-15-9-4-3-5-10-15/h3-7,9-12,18,22H,2,8,13-14H2,1H3/t18-/m1/s1
InChIKeyBQJGAGGLGXXGRZ-GOSISDBHSA-N
XLogP3.95
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]propan-1-ol
CID 6491547
1-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]propan-1-ol
CID 3161879
1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]propan-1-ol;hydrochloride
CID 16615626
1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]butan-1-ol
CID 17027818
(1S)-1-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethanol
CID 7025306
1-[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol
CID 23607145
1-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethanol
CID 16995372
1-[3-(4-methoxyphenoxy)propyl]-2-propan-2-ylbenzimidazole
CID 16996549
2-benzhydryl-1-[3-(4-methylphenoxy)propyl]benzimidazole
CID 16987277
N-[(1S)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]formamide
CID 7366372
1-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethanol
CID 18879025
(1R)-1-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]ethanol
CID 6998441

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]propan-1-ol?
The IUPAC name of (1R)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]propan-1-ol (CID 40699156) is (1R)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]propan-1-ol.
What is the SMILES notation for (1R)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]propan-1-ol?
The canonical SMILES for (1R)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]propan-1-ol is CC[C@@H](O)c1nc2ccccc2n1CCCOc1ccccc1.
What is the InChIKey of (1R)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]propan-1-ol?
The InChIKey is BQJGAGGLGXXGRZ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-2-18(22)19-20-16-11-6-7-12-17(16)21(19)13-8-14-23-15-9-4-3-5-10-15/h3-7,9-12,18,22H,2,8,13-14H2,1H3/t18-/m1/s1.
What are the key properties of (1R)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]propan-1-ol?
(1R)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]propan-1-ol has a molecular weight of 310.40 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]propan-1-ol is sourced from PubChem (CID 40699156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).