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

C23H19F3N2O — CID 11429379

IUPAC2-[3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]propan-2-ol
SMILESCC(C)(O)c1cccc(-c2cc(C(F)(F)F)cc3ncn(-c4ccccc4)c23)c1
InChIInChI=1S/C23H19F3N2O/c1-22(2,29)16-8-6-7-15(11-16)19-12-17(23(24,25)26)13-20-21(19)28(14-27-20)18-9-4-3-5-10-18/h3-14,29H,1-2H3
InChIKeySITBBBXVUAUMBB-UHFFFAOYSA-N
MW396.41 g/mol
LogP5.94
Rot. Bonds3

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

2-[3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]propan-2-ol (PubChem CID 11429379) has the molecular formula C23H19F3N2O and a molecular weight of 396.41 g/mol. Its IUPAC name is 2-[3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]propan-2-ol
PubChem CID11429379
Molecular FormulaC23H19F3N2O
Molecular Weight396.41 g/mol
Exact Mass396.14
IUPAC Name2-[3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]propan-2-ol
SMILESCC(C)(O)c1cccc(-c2cc(C(F)(F)F)cc3ncn(-c4ccccc4)c23)c1
InChIInChI=1S/C23H19F3N2O/c1-22(2,29)16-8-6-7-15(11-16)19-12-17(23(24,25)26)13-20-21(19)28(14-27-20)18-9-4-3-5-10-18/h3-14,29H,1-2H3
InChIKeySITBBBXVUAUMBB-UHFFFAOYSA-N
XLogP5.94
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.41
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]propan-2-ol?
The IUPAC name of 2-[3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]propan-2-ol (CID 11429379) is 2-[3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]propan-2-ol.
What is the SMILES notation for 2-[3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]propan-2-ol?
The canonical SMILES for 2-[3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]propan-2-ol is CC(C)(O)c1cccc(-c2cc(C(F)(F)F)cc3ncn(-c4ccccc4)c23)c1.
What is the InChIKey of 2-[3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]propan-2-ol?
The InChIKey is SITBBBXVUAUMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O/c1-22(2,29)16-8-6-7-15(11-16)19-12-17(23(24,25)26)13-20-21(19)28(14-27-20)18-9-4-3-5-10-18/h3-14,29H,1-2H3.
What are the key properties of 2-[3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]propan-2-ol?
2-[3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]propan-2-ol has a molecular weight of 396.41 g/mol, XLogP of 5.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]propan-2-ol is sourced from PubChem (CID 11429379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).