2-ethyl-4-(5-fluoro-2,4-dimethylphenyl)-1-pentylbenzimidazole

C22H27FN2 — CID 23295231

IUPAC2-ethyl-4-(5-fluoro-2,4-dimethylphenyl)-1-pentylbenzimidazole
SMILESCCCCCn1c(CC)nc2c(-c3cc(F)c(C)cc3C)cccc21
InChIInChI=1S/C22H27FN2/c1-5-7-8-12-25-20-11-9-10-17(22(20)24-21(25)6-2)18-14-19(23)16(4)13-15(18)3/h9-11,13-14H,5-8,12H2,1-4H3
InChIKeyGBGWGBRUFRHVKV-UHFFFAOYSA-N
MW338.47 g/mol
LogP6.21
Rot. Bonds6

About 2-ethyl-4-(5-fluoro-2,4-dimethylphenyl)-1-pentylbenzimidazole

2-ethyl-4-(5-fluoro-2,4-dimethylphenyl)-1-pentylbenzimidazole (PubChem CID 23295231) has the molecular formula C22H27FN2 and a molecular weight of 338.47 g/mol. Its IUPAC name is 2-ethyl-4-(5-fluoro-2,4-dimethylphenyl)-1-pentylbenzimidazole.

Molecular Properties

Compound Name2-ethyl-4-(5-fluoro-2,4-dimethylphenyl)-1-pentylbenzimidazole
PubChem CID23295231
Molecular FormulaC22H27FN2
Molecular Weight338.47 g/mol
Exact Mass338.22
IUPAC Name2-ethyl-4-(5-fluoro-2,4-dimethylphenyl)-1-pentylbenzimidazole
SMILESCCCCCn1c(CC)nc2c(-c3cc(F)c(C)cc3C)cccc21
InChIInChI=1S/C22H27FN2/c1-5-7-8-12-25-20-11-9-10-17(22(20)24-21(25)6-2)18-14-19(23)16(4)13-15(18)3/h9-11,13-14H,5-8,12H2,1-4H3
InChIKeyGBGWGBRUFRHVKV-UHFFFAOYSA-N
XLogP6.21
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.47
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-4-fluoro-1-pentylbenzimidazole
CID 54920921
6-(4-chloro-2-methylphenyl)-8-ethyl-9-heptylpurine
CID 18001362
2-(2-methylpropyl)-1-pentylbenzimidazol-4-amine
CID 82067689
3-butyl-5-(2,6-difluorophenyl)-2-ethylimidazol-4-amine
CID 62218493
ethane;2-ethyl-4-fluoro-1-methylbenzimidazole
CID 176704050
2-ethyl-1-[3-(2-hydroxyethoxy)propyl]benzimidazole-4-carboxylic acid
CID 106304934
1-butyl-4-chloro-2-(chloromethyl)benzimidazole
CID 104837320
3-butyl-2-ethyl-5-(2-fluorophenyl)imidazol-4-amine
CID 62219729
2-dodecyl-1,4-dimethylbenzimidazole
CID 22734767
1-(2,2-difluoroethyl)-2-ethylbenzimidazole-4-carboxylic acid
CID 113332333
1-dodecyl-2-(2-methylphenyl)benzimidazole
CID 17000610
2-ethyl-5-isocyano-1-pentylbenzimidazole
CID 20814039

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(5-fluoro-2,4-dimethylphenyl)-1-pentylbenzimidazole?
The IUPAC name of 2-ethyl-4-(5-fluoro-2,4-dimethylphenyl)-1-pentylbenzimidazole (CID 23295231) is 2-ethyl-4-(5-fluoro-2,4-dimethylphenyl)-1-pentylbenzimidazole.
What is the SMILES notation for 2-ethyl-4-(5-fluoro-2,4-dimethylphenyl)-1-pentylbenzimidazole?
The canonical SMILES for 2-ethyl-4-(5-fluoro-2,4-dimethylphenyl)-1-pentylbenzimidazole is CCCCCn1c(CC)nc2c(-c3cc(F)c(C)cc3C)cccc21.
What is the InChIKey of 2-ethyl-4-(5-fluoro-2,4-dimethylphenyl)-1-pentylbenzimidazole?
The InChIKey is GBGWGBRUFRHVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2/c1-5-7-8-12-25-20-11-9-10-17(22(20)24-21(25)6-2)18-14-19(23)16(4)13-15(18)3/h9-11,13-14H,5-8,12H2,1-4H3.
What are the key properties of 2-ethyl-4-(5-fluoro-2,4-dimethylphenyl)-1-pentylbenzimidazole?
2-ethyl-4-(5-fluoro-2,4-dimethylphenyl)-1-pentylbenzimidazole has a molecular weight of 338.47 g/mol, XLogP of 6.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(5-fluoro-2,4-dimethylphenyl)-1-pentylbenzimidazole is sourced from PubChem (CID 23295231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).