1-[4-(4-chloro-2-fluorophenoxy)butyl]-2-ethylbenzimidazole

C19H20ClFN2O — CID 122190747

IUPAC1-[4-(4-chloro-2-fluorophenoxy)butyl]-2-ethylbenzimidazole
SMILESCCc1nc2ccccc2n1CCCCOc1ccc(Cl)cc1F
InChIInChI=1S/C19H20ClFN2O/c1-2-19-22-16-7-3-4-8-17(16)23(19)11-5-6-12-24-18-10-9-14(20)13-15(18)21/h3-4,7-10,13H,2,5-6,11-12H2,1H3
InChIKeySNSPXJPWHYPUIB-UHFFFAOYSA-N
MW346.83 g/mol
LogP5.25
Rot. Bonds7

About 1-[4-(4-chloro-2-fluorophenoxy)butyl]-2-ethylbenzimidazole

1-[4-(4-chloro-2-fluorophenoxy)butyl]-2-ethylbenzimidazole (PubChem CID 122190747) has the molecular formula C19H20ClFN2O and a molecular weight of 346.83 g/mol. Its IUPAC name is 1-[4-(4-chloro-2-fluorophenoxy)butyl]-2-ethylbenzimidazole.

Molecular Properties

Compound Name1-[4-(4-chloro-2-fluorophenoxy)butyl]-2-ethylbenzimidazole
PubChem CID122190747
Molecular FormulaC19H20ClFN2O
Molecular Weight346.83 g/mol
Exact Mass346.12
IUPAC Name1-[4-(4-chloro-2-fluorophenoxy)butyl]-2-ethylbenzimidazole
SMILESCCc1nc2ccccc2n1CCCCOc1ccc(Cl)cc1F
InChIInChI=1S/C19H20ClFN2O/c1-2-19-22-16-7-3-4-8-17(16)23(19)11-5-6-12-24-18-10-9-14(20)13-15(18)21/h3-4,7-10,13H,2,5-6,11-12H2,1H3
InChIKeySNSPXJPWHYPUIB-UHFFFAOYSA-N
XLogP5.25
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.83
LogP ≤ 55.25
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

2-ethyl-1-(4-pyridin-4-yloxybutyl)benzimidazole
CID 122190781
2-[(2,4-dichlorophenoxy)methyl]-1-(4-phenoxybutyl)benzimidazole
CID 16997233
2-[(2,4-dichlorophenoxy)methyl]-1-[4-(4-methoxyphenoxy)butyl]benzimidazole
CID 16997248
2-ethyl-1-(4-phenylmethoxybutyl)benzimidazole
CID 122190742
1-[3-(4-chlorophenoxy)propyl]-2-[(2,4-dichlorophenoxy)methyl]benzimidazole
CID 16997224
2-[(4-chlorophenyl)methyl]-1-[4-(2,3-dimethylphenoxy)butyl]benzimidazole
CID 16995841
2-[(4-chlorophenyl)methyl]-1-[3-(2,4-dimethylphenoxy)propyl]benzimidazole
CID 18878462
2-ethyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole
CID 16996440
1,7-bis(2-ethylbenzimidazol-1-yl)heptan-4-one
CID 139073818
2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethanol
CID 19242419
2-[(4-chlorophenyl)methyl]-1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazole
CID 16995848
2-ethyl-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole
CID 16996414

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloro-2-fluorophenoxy)butyl]-2-ethylbenzimidazole?
The IUPAC name of 1-[4-(4-chloro-2-fluorophenoxy)butyl]-2-ethylbenzimidazole (CID 122190747) is 1-[4-(4-chloro-2-fluorophenoxy)butyl]-2-ethylbenzimidazole.
What is the SMILES notation for 1-[4-(4-chloro-2-fluorophenoxy)butyl]-2-ethylbenzimidazole?
The canonical SMILES for 1-[4-(4-chloro-2-fluorophenoxy)butyl]-2-ethylbenzimidazole is CCc1nc2ccccc2n1CCCCOc1ccc(Cl)cc1F.
What is the InChIKey of 1-[4-(4-chloro-2-fluorophenoxy)butyl]-2-ethylbenzimidazole?
The InChIKey is SNSPXJPWHYPUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O/c1-2-19-22-16-7-3-4-8-17(16)23(19)11-5-6-12-24-18-10-9-14(20)13-15(18)21/h3-4,7-10,13H,2,5-6,11-12H2,1H3.
What are the key properties of 1-[4-(4-chloro-2-fluorophenoxy)butyl]-2-ethylbenzimidazole?
1-[4-(4-chloro-2-fluorophenoxy)butyl]-2-ethylbenzimidazole has a molecular weight of 346.83 g/mol, XLogP of 5.25, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloro-2-fluorophenoxy)butyl]-2-ethylbenzimidazole is sourced from PubChem (CID 122190747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).