1-hexyl-2-[4-(trifluoromethoxy)phenyl]benzimidazole

C20H21F3N2O — CID 134083950

IUPAC1-hexyl-2-[4-(trifluoromethoxy)phenyl]benzimidazole
SMILESCCCCCCn1c(-c2ccc(OC(F)(F)F)cc2)nc2ccccc21
InChIInChI=1S/C20H21F3N2O/c1-2-3-4-7-14-25-18-9-6-5-8-17(18)24-19(25)15-10-12-16(13-11-15)26-20(21,22)23/h5-6,8-13H,2-4,7,14H2,1H3
InChIKeyVOGFKLMDZOHTSZ-UHFFFAOYSA-N
MW362.40 g/mol
LogP6.18
Rot. Bonds7

About 1-hexyl-2-[4-(trifluoromethoxy)phenyl]benzimidazole

1-hexyl-2-[4-(trifluoromethoxy)phenyl]benzimidazole (PubChem CID 134083950) has the molecular formula C20H21F3N2O and a molecular weight of 362.40 g/mol. Its IUPAC name is 1-hexyl-2-[4-(trifluoromethoxy)phenyl]benzimidazole.

Molecular Properties

Compound Name1-hexyl-2-[4-(trifluoromethoxy)phenyl]benzimidazole
PubChem CID134083950
Molecular FormulaC20H21F3N2O
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC Name1-hexyl-2-[4-(trifluoromethoxy)phenyl]benzimidazole
SMILESCCCCCCn1c(-c2ccc(OC(F)(F)F)cc2)nc2ccccc21
InChIInChI=1S/C20H21F3N2O/c1-2-3-4-7-14-25-18-9-6-5-8-17(18)24-19(25)15-10-12-16(13-11-15)26-20(21,22)23/h5-6,8-13H,2-4,7,14H2,1H3
InChIKeyVOGFKLMDZOHTSZ-UHFFFAOYSA-N
XLogP6.18
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.40
LogP ≤ 56.18
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-(4-fluorophenyl)-1-hexadecylbenzimidazole
CID 19243176
2-(4-fluorophenyl)-1-hexylbenzimidazole
CID 19243183
2-(4-fluorophenyl)-1-pentylbenzimidazole
CID 19243184
2-(4-tert-butylphenyl)-1-pentylbenzimidazole
CID 84571437
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-(3-methylphenyl)-1-octadecylbenzimidazole
CID 17000753
1-hexyl-5-methoxy-2-(4-phenylphenyl)benzimidazole
CID 134083855
2-(3-methoxyphenyl)-1-pentylbenzimidazole
CID 17001673

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-2-[4-(trifluoromethoxy)phenyl]benzimidazole?
The IUPAC name of 1-hexyl-2-[4-(trifluoromethoxy)phenyl]benzimidazole (CID 134083950) is 1-hexyl-2-[4-(trifluoromethoxy)phenyl]benzimidazole.
What is the SMILES notation for 1-hexyl-2-[4-(trifluoromethoxy)phenyl]benzimidazole?
The canonical SMILES for 1-hexyl-2-[4-(trifluoromethoxy)phenyl]benzimidazole is CCCCCCn1c(-c2ccc(OC(F)(F)F)cc2)nc2ccccc21.
What is the InChIKey of 1-hexyl-2-[4-(trifluoromethoxy)phenyl]benzimidazole?
The InChIKey is VOGFKLMDZOHTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O/c1-2-3-4-7-14-25-18-9-6-5-8-17(18)24-19(25)15-10-12-16(13-11-15)26-20(21,22)23/h5-6,8-13H,2-4,7,14H2,1H3.
What are the key properties of 1-hexyl-2-[4-(trifluoromethoxy)phenyl]benzimidazole?
1-hexyl-2-[4-(trifluoromethoxy)phenyl]benzimidazole has a molecular weight of 362.40 g/mol, XLogP of 6.18, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-2-[4-(trifluoromethoxy)phenyl]benzimidazole is sourced from PubChem (CID 134083950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).