1-[4-(4-ethylphenoxy)butyl]benzimidazole

C19H22N2O — CID 16994975

IUPAC1-[4-(4-ethylphenoxy)butyl]benzimidazole
SMILESCCc1ccc(OCCCCn2cnc3ccccc32)cc1
InChIInChI=1S/C19H22N2O/c1-2-16-9-11-17(12-10-16)22-14-6-5-13-21-15-20-18-7-3-4-8-19(18)21/h3-4,7-12,15H,2,5-6,13-14H2,1H3
InChIKeyKOCINGUMHMKVIZ-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.46
Rot. Bonds7

About 1-[4-(4-ethylphenoxy)butyl]benzimidazole

1-[4-(4-ethylphenoxy)butyl]benzimidazole (PubChem CID 16994975) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[4-(4-ethylphenoxy)butyl]benzimidazole.

Molecular Properties

Compound Name1-[4-(4-ethylphenoxy)butyl]benzimidazole
PubChem CID16994975
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name1-[4-(4-ethylphenoxy)butyl]benzimidazole
SMILESCCc1ccc(OCCCCn2cnc3ccccc32)cc1
InChIInChI=1S/C19H22N2O/c1-2-16-9-11-17(12-10-16)22-14-6-5-13-21-15-20-18-7-3-4-8-19(18)21/h3-4,7-12,15H,2,5-6,13-14H2,1H3
InChIKeyKOCINGUMHMKVIZ-UHFFFAOYSA-N
XLogP4.46
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2-methoxyphenoxy)butyl]benzimidazole
CID 16994969
bis(1-butylbenzimidazole);ethane
CID 142164287
1-[2-(4-chlorophenoxy)ethyl]benzimidazole
CID 803004
1-[3-(3-methylphenoxy)propyl]benzimidazole
CID 2150317
1-(6-chlorohexyl)benzimidazole
CID 62228178
1-[4-(2-bromophenoxy)butyl]benzimidazole;hydrochloride
CID 2965821
1-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]benzimidazole
CID 5190432
N-[3-(benzimidazol-1-yl)propyl]-4-ethoxybenzamide
CID 17499528
1-(18-phenyloctadecyl)benzimidazole
CID 67925718
1-[4-(4-ethylphenoxy)butyl]-2-(3-methylphenyl)benzimidazole
CID 17000838
2-(2-chlorophenyl)-1-[4-(4-ethylphenoxy)butyl]benzimidazole
CID 17002176
1-(3-ethylsulfanylpropyl)benzimidazole
CID 115650886

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethylphenoxy)butyl]benzimidazole?
The IUPAC name of 1-[4-(4-ethylphenoxy)butyl]benzimidazole (CID 16994975) is 1-[4-(4-ethylphenoxy)butyl]benzimidazole.
What is the SMILES notation for 1-[4-(4-ethylphenoxy)butyl]benzimidazole?
The canonical SMILES for 1-[4-(4-ethylphenoxy)butyl]benzimidazole is CCc1ccc(OCCCCn2cnc3ccccc32)cc1.
What is the InChIKey of 1-[4-(4-ethylphenoxy)butyl]benzimidazole?
The InChIKey is KOCINGUMHMKVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-2-16-9-11-17(12-10-16)22-14-6-5-13-21-15-20-18-7-3-4-8-19(18)21/h3-4,7-12,15H,2,5-6,13-14H2,1H3.
What are the key properties of 1-[4-(4-ethylphenoxy)butyl]benzimidazole?
1-[4-(4-ethylphenoxy)butyl]benzimidazole has a molecular weight of 294.40 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethylphenoxy)butyl]benzimidazole is sourced from PubChem (CID 16994975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).