(1S)-1-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethanol

C19H22N2O2 — CID 7025306

IUPAC(1S)-1-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethanol
SMILESCc1ccc(OCCCn2c([C@H](C)O)nc3ccccc32)cc1
InChIInChI=1S/C19H22N2O2/c1-14-8-10-16(11-9-14)23-13-5-12-21-18-7-4-3-6-17(18)20-19(21)15(2)22/h3-4,6-11,15,22H,5,12-13H2,1-2H3/t15-/m0/s1
InChIKeyVWDKXSYZXPNSHS-HNNXBMFYSA-N
MW310.40 g/mol
LogP3.87
Rot. Bonds6

About (1S)-1-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethanol

(1S)-1-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethanol (PubChem CID 7025306) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (1S)-1-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethanol
PubChem CID7025306
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(1S)-1-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethanol
SMILESCc1ccc(OCCCn2c([C@H](C)O)nc3ccccc32)cc1
InChIInChI=1S/C19H22N2O2/c1-14-8-10-16(11-9-14)23-13-5-12-21-18-7-4-3-6-17(18)20-19(21)15(2)22/h3-4,6-11,15,22H,5,12-13H2,1-2H3/t15-/m0/s1
InChIKeyVWDKXSYZXPNSHS-HNNXBMFYSA-N
XLogP3.87
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.87
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

(1R)-1-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]ethanol
CID 6998441
(1S)-1-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethanol
CID 962321
1-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethanol
CID 16995372
1-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethanol
CID 18879025
2-benzhydryl-1-[3-(4-methylphenoxy)propyl]benzimidazole
CID 16987277
1-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]propan-1-ol
CID 3161879
(1S)-1-[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]ethanol
CID 92716850
1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethanol
CID 16995352
1-[3-(4-methoxyphenoxy)propyl]-2-propan-2-ylbenzimidazole
CID 16996549
2-methyl-N-[1-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16970194
1-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethanol
CID 3160724
4-methyl-N-[1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16967236

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethanol?
The IUPAC name of (1S)-1-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethanol (CID 7025306) is (1S)-1-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethanol.
What is the SMILES notation for (1S)-1-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethanol?
The canonical SMILES for (1S)-1-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethanol is Cc1ccc(OCCCn2c([C@H](C)O)nc3ccccc32)cc1.
What is the InChIKey of (1S)-1-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethanol?
The InChIKey is VWDKXSYZXPNSHS-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-14-8-10-16(11-9-14)23-13-5-12-21-18-7-4-3-6-17(18)20-19(21)15(2)22/h3-4,6-11,15,22H,5,12-13H2,1-2H3/t15-/m0/s1.
What are the key properties of (1S)-1-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethanol?
(1S)-1-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethanol has a molecular weight of 310.40 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethanol is sourced from PubChem (CID 7025306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).