3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol

C19H22N2O3 — CID 16995480

IUPAC3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol
SMILESCOc1ccccc1OCCn1c(CCCO)nc2ccccc21
InChIInChI=1S/C19H22N2O3/c1-23-17-9-4-5-10-18(17)24-14-12-21-16-8-3-2-7-15(16)20-19(21)11-6-13-22/h2-5,7-10,22H,6,11-14H2,1H3
InChIKeyCYOUDLFCOAMDNL-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.05
Rot. Bonds8

About 3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol

3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol (PubChem CID 16995480) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol
PubChem CID16995480
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol
SMILESCOc1ccccc1OCCn1c(CCCO)nc2ccccc21
InChIInChI=1S/C19H22N2O3/c1-23-17-9-4-5-10-18(17)24-14-12-21-16-8-3-2-7-15(16)20-19(21)11-6-13-22/h2-5,7-10,22H,6,11-14H2,1H3
InChIKeyCYOUDLFCOAMDNL-UHFFFAOYSA-N
XLogP3.05
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol
CID 648297
3-[1-[2-(2-methoxyethoxy)ethyl]benzimidazol-2-yl]propan-1-ol
CID 2947583
N-[2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide
CID 16974874
4-fluoro-N-[3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16984458
N-[3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-4-carboxamide
CID 16966070
3-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]propan-1-ol
CID 2945925
1-[2-(2-methoxyphenoxy)ethyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997731
2-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethanol
CID 19242359
[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methanol
CID 16995292
1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-amine
CID 2984464
(Z)-N-[3-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]but-2-enamide
CID 16987105
2-(2-chlorophenyl)-N-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993701

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol (CID 16995480) is 3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol is COc1ccccc1OCCn1c(CCCO)nc2ccccc21.
What is the InChIKey of 3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol?
The InChIKey is CYOUDLFCOAMDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-23-17-9-4-5-10-18(17)24-14-12-21-16-8-3-2-7-15(16)20-19(21)11-6-13-22/h2-5,7-10,22H,6,11-14H2,1H3.
What are the key properties of 3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol?
3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol has a molecular weight of 326.40 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol is sourced from PubChem (CID 16995480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).