4-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]butan-1-ol

C18H17F3N2O — CID 67485396

IUPAC4-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]butan-1-ol
SMILESOCCCCc1cc(C(F)(F)F)cc2ncn(-c3ccccc3)c12
InChIInChI=1S/C18H17F3N2O/c19-18(20,21)14-10-13(6-4-5-9-24)17-16(11-14)22-12-23(17)15-7-2-1-3-8-15/h1-3,7-8,10-12,24H,4-6,9H2
InChIKeyIMQQBUGICZQNDF-UHFFFAOYSA-N
MW334.34 g/mol
LogP4.36
Rot. Bonds5

About 4-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]butan-1-ol

4-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]butan-1-ol (PubChem CID 67485396) has the molecular formula C18H17F3N2O and a molecular weight of 334.34 g/mol. Its IUPAC name is 4-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]butan-1-ol.

Molecular Properties

Compound Name4-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]butan-1-ol
PubChem CID67485396
Molecular FormulaC18H17F3N2O
Molecular Weight334.34 g/mol
Exact Mass334.13
IUPAC Name4-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]butan-1-ol
SMILESOCCCCc1cc(C(F)(F)F)cc2ncn(-c3ccccc3)c12
InChIInChI=1S/C18H17F3N2O/c19-18(20,21)14-10-13(6-4-5-9-24)17-16(11-14)22-12-23(17)15-7-2-1-3-8-15/h1-3,7-8,10-12,24H,4-6,9H2
InChIKeyIMQQBUGICZQNDF-UHFFFAOYSA-N
XLogP4.36
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]butan-1-ol?
The IUPAC name of 4-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]butan-1-ol (CID 67485396) is 4-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]butan-1-ol.
What is the SMILES notation for 4-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]butan-1-ol?
The canonical SMILES for 4-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]butan-1-ol is OCCCCc1cc(C(F)(F)F)cc2ncn(-c3ccccc3)c12.
What is the InChIKey of 4-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]butan-1-ol?
The InChIKey is IMQQBUGICZQNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O/c19-18(20,21)14-10-13(6-4-5-9-24)17-16(11-14)22-12-23(17)15-7-2-1-3-8-15/h1-3,7-8,10-12,24H,4-6,9H2.
What are the key properties of 4-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]butan-1-ol?
4-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]butan-1-ol has a molecular weight of 334.34 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]butan-1-ol is sourced from PubChem (CID 67485396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).