1-[3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]propan-2-ol

C23H19F3N2O — CID 67485371

IUPAC1-[3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]propan-2-ol
SMILESCC(O)Cc1cccc(-c2cc(C(F)(F)F)cc3ncn(-c4ccccc4)c23)c1
InChIInChI=1S/C23H19F3N2O/c1-15(29)10-16-6-5-7-17(11-16)20-12-18(23(24,25)26)13-21-22(20)28(14-27-21)19-8-3-2-4-9-19/h2-9,11-15,29H,10H2,1H3
InChIKeyBYUKQWKDSZVGPM-UHFFFAOYSA-N
MW396.41 g/mol
LogP5.63
Rot. Bonds4

About 1-[3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]propan-2-ol

1-[3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]propan-2-ol (PubChem CID 67485371) has the molecular formula C23H19F3N2O and a molecular weight of 396.41 g/mol. Its IUPAC name is 1-[3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]propan-2-ol
PubChem CID67485371
Molecular FormulaC23H19F3N2O
Molecular Weight396.41 g/mol
Exact Mass396.14
IUPAC Name1-[3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]propan-2-ol
SMILESCC(O)Cc1cccc(-c2cc(C(F)(F)F)cc3ncn(-c4ccccc4)c23)c1
InChIInChI=1S/C23H19F3N2O/c1-15(29)10-16-6-5-7-17(11-16)20-12-18(23(24,25)26)13-21-22(20)28(14-27-21)19-8-3-2-4-9-19/h2-9,11-15,29H,10H2,1H3
InChIKeyBYUKQWKDSZVGPM-UHFFFAOYSA-N
XLogP5.63
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.41
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]propan-2-ol?
The IUPAC name of 1-[3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]propan-2-ol (CID 67485371) is 1-[3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]propan-2-ol.
What is the SMILES notation for 1-[3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]propan-2-ol?
The canonical SMILES for 1-[3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]propan-2-ol is CC(O)Cc1cccc(-c2cc(C(F)(F)F)cc3ncn(-c4ccccc4)c23)c1.
What is the InChIKey of 1-[3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]propan-2-ol?
The InChIKey is BYUKQWKDSZVGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O/c1-15(29)10-16-6-5-7-17(11-16)20-12-18(23(24,25)26)13-21-22(20)28(14-27-21)19-8-3-2-4-9-19/h2-9,11-15,29H,10H2,1H3.
What are the key properties of 1-[3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]propan-2-ol?
1-[3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]propan-2-ol has a molecular weight of 396.41 g/mol, XLogP of 5.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]propan-2-ol is sourced from PubChem (CID 67485371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).