3-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-ol

C16H15F3N2O2 — CID 46310165

IUPAC3-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-ol
SMILESOCCCc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1
InChIInChI=1S/C16H15F3N2O2/c17-16(18,19)11-5-6-14-13(9-11)20-15(4-1-7-22)21(14)10-12-3-2-8-23-12/h2-3,5-6,8-9,22H,1,4,7,10H2
InChIKeyOLUGDRXCKQMWTN-UHFFFAOYSA-N
MW324.30 g/mol
LogP3.62
Rot. Bonds5

About 3-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-ol

3-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-ol (PubChem CID 46310165) has the molecular formula C16H15F3N2O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is 3-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-ol
PubChem CID46310165
Molecular FormulaC16H15F3N2O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC Name3-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-ol
SMILESOCCCc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1
InChIInChI=1S/C16H15F3N2O2/c17-16(18,19)11-5-6-14-13(9-11)20-15(4-1-7-22)21(14)10-12-3-2-8-23-12/h2-3,5-6,8-9,22H,1,4,7,10H2
InChIKeyOLUGDRXCKQMWTN-UHFFFAOYSA-N
XLogP3.62
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
CID 46310275
2-[(2-chlorophenoxy)methyl]-1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazole
CID 46310157
1-(furan-2-ylmethyl)-2-thiophen-2-yl-5-(trifluoromethyl)benzimidazole
CID 46310175
3-[1-[3-(dibutylamino)propyl]-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-ol
CID 46309614
4-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]butan-1-ol
CID 86705759
2-(2-chloroethyl)-1-(furan-2-ylmethyl)-5-methylbenzimidazole
CID 43666319
3-[2-(aminomethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-ol
CID 46308496
3,5-diacetamido-N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]benzamide
CID 55461087
2-(2-chloroethyl)-1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzimidazole
CID 115502173
N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 17410225
N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-1-phenylpyrazole-3-carboxamide
CID 55650953
N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-1,3-benzodioxole-4-carboxamide
CID 55835451

Frequently Asked Questions

What is the IUPAC name of 3-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-ol (CID 46310165) is 3-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-ol is OCCCc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1.
What is the InChIKey of 3-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-ol?
The InChIKey is OLUGDRXCKQMWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2/c17-16(18,19)11-5-6-14-13(9-11)20-15(4-1-7-22)21(14)10-12-3-2-8-23-12/h2-3,5-6,8-9,22H,1,4,7,10H2.
What are the key properties of 3-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-ol?
3-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-ol has a molecular weight of 324.30 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-ol is sourced from PubChem (CID 46310165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).