1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]propan-1-ol

C21H26N2O2 — CID 6491547

IUPAC1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]propan-1-ol
SMILESCCc1ccc(OCCCn2c(C(O)CC)nc3ccccc32)cc1
InChIInChI=1S/C21H26N2O2/c1-3-16-10-12-17(13-11-16)25-15-7-14-23-19-9-6-5-8-18(19)22-21(23)20(24)4-2/h5-6,8-13,20,24H,3-4,7,14-15H2,1-2H3
InChIKeyYNWWOYWTDBHQHP-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.51
Rot. Bonds8

About 1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]propan-1-ol

1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]propan-1-ol (PubChem CID 6491547) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]propan-1-ol
PubChem CID6491547
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]propan-1-ol
SMILESCCc1ccc(OCCCn2c(C(O)CC)nc3ccccc32)cc1
InChIInChI=1S/C21H26N2O2/c1-3-16-10-12-17(13-11-16)25-15-7-14-23-19-9-6-5-8-18(19)22-21(23)20(24)4-2/h5-6,8-13,20,24H,3-4,7,14-15H2,1-2H3
InChIKeyYNWWOYWTDBHQHP-UHFFFAOYSA-N
XLogP4.51
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 ≤ 54.51
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

1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]butan-1-ol
CID 17027818
(1R)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]propan-1-ol
CID 40699156
1-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]propan-1-ol
CID 3161879
1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethanol
CID 16995352
1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]propan-1-ol;hydrochloride
CID 16615626
2-[1-(azepan-1-yl)ethyl]-1-[3-(4-ethylphenoxy)propyl]benzimidazole
CID 18885329
N-[1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide
CID 16969251
(1S)-1-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethanol
CID 7025306
1-[4-(4-ethylphenoxy)butyl]-2-(1-pyrrolidin-1-ylethyl)benzimidazole
CID 18885099
1-[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol
CID 23607145
1-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethanol
CID 16995372
1-[3-(4-methoxyphenoxy)propyl]-2-propan-2-ylbenzimidazole
CID 16996549

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]propan-1-ol?
The IUPAC name of 1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]propan-1-ol (CID 6491547) is 1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]propan-1-ol.
What is the SMILES notation for 1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]propan-1-ol?
The canonical SMILES for 1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]propan-1-ol is CCc1ccc(OCCCn2c(C(O)CC)nc3ccccc32)cc1.
What is the InChIKey of 1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]propan-1-ol?
The InChIKey is YNWWOYWTDBHQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-3-16-10-12-17(13-11-16)25-15-7-14-23-19-9-6-5-8-18(19)22-21(23)20(24)4-2/h5-6,8-13,20,24H,3-4,7,14-15H2,1-2H3.
What are the key properties of 1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]propan-1-ol?
1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]propan-1-ol has a molecular weight of 338.45 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]propan-1-ol is sourced from PubChem (CID 6491547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).