2-(4-fluorophenyl)-1-hexylbenzimidazole

C19H21FN2 — CID 19243183

IUPAC2-(4-fluorophenyl)-1-hexylbenzimidazole
SMILESCCCCCCn1c(-c2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C19H21FN2/c1-2-3-4-7-14-22-18-9-6-5-8-17(18)21-19(22)15-10-12-16(20)13-11-15/h5-6,8-13H,2-4,7,14H2,1H3
InChIKeyPWBUQBPSHMKOSM-UHFFFAOYSA-N
MW296.39 g/mol
LogP5.42
Rot. Bonds6

About 2-(4-fluorophenyl)-1-hexylbenzimidazole

2-(4-fluorophenyl)-1-hexylbenzimidazole (PubChem CID 19243183) has the molecular formula C19H21FN2 and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-hexylbenzimidazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-hexylbenzimidazole
PubChem CID19243183
Molecular FormulaC19H21FN2
Molecular Weight296.39 g/mol
Exact Mass296.17
IUPAC Name2-(4-fluorophenyl)-1-hexylbenzimidazole
SMILESCCCCCCn1c(-c2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C19H21FN2/c1-2-3-4-7-14-22-18-9-6-5-8-17(18)21-19(22)15-10-12-16(20)13-11-15/h5-6,8-13H,2-4,7,14H2,1H3
InChIKeyPWBUQBPSHMKOSM-UHFFFAOYSA-N
XLogP5.42
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.39
LogP ≤ 55.42
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-(4-fluorophenyl)-1-hexadecylbenzimidazole
CID 19243176
2-(4-fluorophenyl)-1-pentylbenzimidazole
CID 19243184
2-(4-bromophenyl)-1-decylbenzimidazole
CID 17001133
2-(4-bromophenyl)-1-undecylbenzimidazole
CID 17001134
4-(1-pentylbenzimidazol-2-yl)aniline
CID 82024726
2-[3,5-bis(1-decylbenzimidazol-2-yl)phenyl]-1-decylbenzimidazole
CID 102531556
2-(4-bromophenyl)-1-pentylbenzimidazole
CID 17001128
2-(4-tert-butylphenyl)-1-pentylbenzimidazole
CID 84571437
1-hexyl-2-[4-(trifluoromethoxy)phenyl]benzimidazole
CID 134083950
2-(3-methylphenyl)-1-octadecylbenzimidazole
CID 17000753
1-[4-(2,6-dimethylphenoxy)butyl]-2-(4-fluorophenyl)benzimidazole
CID 19243167
1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole
CID 4014777

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-hexylbenzimidazole?
The IUPAC name of 2-(4-fluorophenyl)-1-hexylbenzimidazole (CID 19243183) is 2-(4-fluorophenyl)-1-hexylbenzimidazole.
What is the SMILES notation for 2-(4-fluorophenyl)-1-hexylbenzimidazole?
The canonical SMILES for 2-(4-fluorophenyl)-1-hexylbenzimidazole is CCCCCCn1c(-c2ccc(F)cc2)nc2ccccc21.
What is the InChIKey of 2-(4-fluorophenyl)-1-hexylbenzimidazole?
The InChIKey is PWBUQBPSHMKOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2/c1-2-3-4-7-14-22-18-9-6-5-8-17(18)21-19(22)15-10-12-16(20)13-11-15/h5-6,8-13H,2-4,7,14H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-hexylbenzimidazole?
2-(4-fluorophenyl)-1-hexylbenzimidazole has a molecular weight of 296.39 g/mol, XLogP of 5.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-hexylbenzimidazole is sourced from PubChem (CID 19243183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).