1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]propan-1-ol;hydrochloride

C20H25ClN2O3 — CID 16615626

IUPAC1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]propan-1-ol;hydrochloride
SMILESCCC(O)c1nc2ccccc2n1CCCOc1cccc(OC)c1.Cl
InChIInChI=1S/C20H24N2O3.ClH/c1-3-19(23)20-21-17-10-4-5-11-18(17)22(20)12-7-13-25-16-9-6-8-15(14-16)24-2;/h4-6,8-11,14,19,23H,3,7,12-13H2,1-2H3;1H
InChIKeyFURWDAHNIZCZSF-UHFFFAOYSA-N
MW376.88 g/mol
LogP4.38
Rot. Bonds8

About 1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]propan-1-ol;hydrochloride

1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]propan-1-ol;hydrochloride (PubChem CID 16615626) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is 1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]propan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]propan-1-ol;hydrochloride
PubChem CID16615626
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC Name1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]propan-1-ol;hydrochloride
SMILESCCC(O)c1nc2ccccc2n1CCCOc1cccc(OC)c1.Cl
InChIInChI=1S/C20H24N2O3.ClH/c1-3-19(23)20-21-17-10-4-5-11-18(17)22(20)12-7-13-25-16-9-6-8-15(14-16)24-2;/h4-6,8-11,14,19,23H,3,7,12-13H2,1-2H3;1H
InChIKeyFURWDAHNIZCZSF-UHFFFAOYSA-N
XLogP4.38
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]propan-1-ol
CID 40699156
1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethanol
CID 16995356
1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]propan-1-ol
CID 6491547
N-[1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16968167
2-ethyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole
CID 16996440
[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]-phenylmethanol
CID 16995132
1-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]propan-1-ol
CID 3161879
N-[1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972591
4-methoxy-N-[1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009703
N-[1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16970027
2-ethyl-N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16969072
1-[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol
CID 23607145

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]propan-1-ol;hydrochloride?
The IUPAC name of 1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]propan-1-ol;hydrochloride (CID 16615626) is 1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]propan-1-ol;hydrochloride.
What is the SMILES notation for 1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]propan-1-ol;hydrochloride?
The canonical SMILES for 1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]propan-1-ol;hydrochloride is CCC(O)c1nc2ccccc2n1CCCOc1cccc(OC)c1.Cl.
What is the InChIKey of 1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]propan-1-ol;hydrochloride?
The InChIKey is FURWDAHNIZCZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3.ClH/c1-3-19(23)20-21-17-10-4-5-11-18(17)22(20)12-7-13-25-16-9-6-8-15(14-16)24-2;/h4-6,8-11,14,19,23H,3,7,12-13H2,1-2H3;1H.
What are the key properties of 1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]propan-1-ol;hydrochloride?
1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]propan-1-ol;hydrochloride has a molecular weight of 376.88 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]propan-1-ol;hydrochloride is sourced from PubChem (CID 16615626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).