2-[2-[2-[2-[3-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol

C25H23F3N2O — CID 53345867

IUPAC2-[2-[2-[2-[3-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccccc1-c1ccc2nc(CCc3cccc(C(F)(F)F)c3)[nH]c2c1
InChIInChI=1S/C25H23F3N2O/c1-24(2,31)20-9-4-3-8-19(20)17-11-12-21-22(15-17)30-23(29-21)13-10-16-6-5-7-18(14-16)25(26,27)28/h3-9,11-12,14-15,31H,10,13H2,1-2H3,(H,29,30)
InChIKeyNFVOEHHLMKVORI-UHFFFAOYSA-N
MW424.47 g/mol
LogP6.26
Rot. Bonds5

About 2-[2-[2-[2-[3-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol

2-[2-[2-[2-[3-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol (PubChem CID 53345867) has the molecular formula C25H23F3N2O and a molecular weight of 424.47 g/mol. Its IUPAC name is 2-[2-[2-[2-[3-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[2-[2-[3-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol
PubChem CID53345867
Molecular FormulaC25H23F3N2O
Molecular Weight424.47 g/mol
Exact Mass424.18
IUPAC Name2-[2-[2-[2-[3-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccccc1-c1ccc2nc(CCc3cccc(C(F)(F)F)c3)[nH]c2c1
InChIInChI=1S/C25H23F3N2O/c1-24(2,31)20-9-4-3-8-19(20)17-11-12-21-22(15-17)30-23(29-21)13-10-16-6-5-7-18(14-16)25(26,27)28/h3-9,11-12,14-15,31H,10,13H2,1-2H3,(H,29,30)
InChIKeyNFVOEHHLMKVORI-UHFFFAOYSA-N
XLogP6.26
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.47
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[3-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol?
The IUPAC name of 2-[2-[2-[2-[3-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol (CID 53345867) is 2-[2-[2-[2-[3-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol.
What is the SMILES notation for 2-[2-[2-[2-[3-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol?
The canonical SMILES for 2-[2-[2-[2-[3-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol is CC(C)(O)c1ccccc1-c1ccc2nc(CCc3cccc(C(F)(F)F)c3)[nH]c2c1.
What is the InChIKey of 2-[2-[2-[2-[3-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol?
The InChIKey is NFVOEHHLMKVORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N2O/c1-24(2,31)20-9-4-3-8-19(20)17-11-12-21-22(15-17)30-23(29-21)13-10-16-6-5-7-18(14-16)25(26,27)28/h3-9,11-12,14-15,31H,10,13H2,1-2H3,(H,29,30).
What are the key properties of 2-[2-[2-[2-[3-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol?
2-[2-[2-[2-[3-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol has a molecular weight of 424.47 g/mol, XLogP of 6.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[3-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol is sourced from PubChem (CID 53345867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).