1-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]propan-1-ol

C21H26N2O2 — CID 3161879

IUPAC1-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]propan-1-ol
SMILESCCC(O)c1nc2ccccc2n1CCCCOc1ccc(C)cc1
InChIInChI=1S/C21H26N2O2/c1-3-20(24)21-22-18-8-4-5-9-19(18)23(21)14-6-7-15-25-17-12-10-16(2)11-13-17/h4-5,8-13,20,24H,3,6-7,14-15H2,1-2H3
InChIKeyBIIGLWKPJJRQJY-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.65
Rot. Bonds8

About 1-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]propan-1-ol

1-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]propan-1-ol (PubChem CID 3161879) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]propan-1-ol
PubChem CID3161879
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name1-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]propan-1-ol
SMILESCCC(O)c1nc2ccccc2n1CCCCOc1ccc(C)cc1
InChIInChI=1S/C21H26N2O2/c1-3-20(24)21-22-18-8-4-5-9-19(18)23(21)14-6-7-15-25-17-12-10-16(2)11-13-17/h4-5,8-13,20,24H,3,6-7,14-15H2,1-2H3
InChIKeyBIIGLWKPJJRQJY-UHFFFAOYSA-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'}

Analyze 1-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]ethanol
CID 6998441
(1R)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]propan-1-ol
CID 40699156
1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]propan-1-ol
CID 6491547
(1S)-1-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethanol
CID 7025306
(1S)-1-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethanol
CID 962321
1-[4-(4-methylphenoxy)butyl]-2-[1-(3-methylphenoxy)propyl]benzimidazole
CID 18877885
2-benzhydryl-1-[3-(4-methylphenoxy)propyl]benzimidazole
CID 16987277
1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]propan-1-ol;hydrochloride
CID 16615626
1-[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol
CID 23607145
1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]butan-1-ol
CID 17027818
1-[4-(4-butan-2-ylphenoxy)butyl]-2-(4-methylphenyl)benzimidazole
CID 17000955
1-[4-(4-methylphenoxy)butyl]-2-(2-methylpropyl)benzimidazole
CID 18879040

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]propan-1-ol?
The IUPAC name of 1-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]propan-1-ol (CID 3161879) is 1-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]propan-1-ol.
What is the SMILES notation for 1-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]propan-1-ol?
The canonical SMILES for 1-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]propan-1-ol is CCC(O)c1nc2ccccc2n1CCCCOc1ccc(C)cc1.
What is the InChIKey of 1-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]propan-1-ol?
The InChIKey is BIIGLWKPJJRQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-3-20(24)21-22-18-8-4-5-9-19(18)23(21)14-6-7-15-25-17-12-10-16(2)11-13-17/h4-5,8-13,20,24H,3,6-7,14-15H2,1-2H3.
What are the key properties of 1-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]propan-1-ol?
1-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]propan-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 1-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]propan-1-ol is sourced from PubChem (CID 3161879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).