(1S)-1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]butan-1-ol

C21H26N2O2 — CID 92735926

IUPAC(1S)-1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]butan-1-ol
SMILESCCC[C@H](O)c1nc2ccccc2n1CCCOc1ccccc1C
InChIInChI=1S/C21H26N2O2/c1-3-9-19(24)21-22-17-11-5-6-12-18(17)23(21)14-8-15-25-20-13-7-4-10-16(20)2/h4-7,10-13,19,24H,3,8-9,14-15H2,1-2H3/t19-/m0/s1
InChIKeyFNYZPLSBXDEQEF-IBGZPJMESA-N
MW338.45 g/mol
LogP4.65
Rot. Bonds8

About (1S)-1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]butan-1-ol

(1S)-1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]butan-1-ol (PubChem CID 92735926) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (1S)-1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]butan-1-ol.

Molecular Properties

Compound Name(1S)-1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]butan-1-ol
PubChem CID92735926
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(1S)-1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]butan-1-ol
SMILESCCC[C@H](O)c1nc2ccccc2n1CCCOc1ccccc1C
InChIInChI=1S/C21H26N2O2/c1-3-9-19(24)21-22-17-11-5-6-12-18(17)23(21)14-8-15-25-20-13-7-4-10-16(20)2/h4-7,10-13,19,24H,3,8-9,14-15H2,1-2H3/t19-/m0/s1
InChIKeyFNYZPLSBXDEQEF-IBGZPJMESA-N
XLogP4.65
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.65
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-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]butan-1-ol
CID 92735925
1-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]butan-1-ol
CID 50745340
1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]butan-1-ol
CID 17027818
1-[4-(2-methylphenoxy)butyl]-2-pentan-3-ylbenzimidazole
CID 18879067
(1S)-1-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethanol
CID 962325
N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide
CID 16968624
1-[1-(3-methylbutyl)benzimidazol-2-yl]butan-1-ol
CID 17027807
(1S)-1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]butan-1-ol
CID 25405248
1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]butan-1-ol
CID 17027791
(1R)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]propan-1-ol
CID 40699156
1-[4-(2-methylphenoxy)butyl]-2-(1-phenoxypropyl)benzimidazole
CID 18878039
N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972578

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]butan-1-ol?
The IUPAC name of (1S)-1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]butan-1-ol (CID 92735926) is (1S)-1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]butan-1-ol.
What is the SMILES notation for (1S)-1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]butan-1-ol?
The canonical SMILES for (1S)-1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]butan-1-ol is CCC[C@H](O)c1nc2ccccc2n1CCCOc1ccccc1C.
What is the InChIKey of (1S)-1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]butan-1-ol?
The InChIKey is FNYZPLSBXDEQEF-IBGZPJMESA-N. The full InChI is InChI=1S/C21H26N2O2/c1-3-9-19(24)21-22-17-11-5-6-12-18(17)23(21)14-8-15-25-20-13-7-4-10-16(20)2/h4-7,10-13,19,24H,3,8-9,14-15H2,1-2H3/t19-/m0/s1.
What are the key properties of (1S)-1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]butan-1-ol?
(1S)-1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]butan-1-ol has a molecular weight of 338.45 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]butan-1-ol is sourced from PubChem (CID 92735926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).