8-[[1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]naphthalen-2-ol

C21H18F3N3O — CID 11538242

IUPAC8-[[1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]naphthalen-2-ol
SMILESCC(C)n1c(Nc2cccc3ccc(O)cc23)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C21H18F3N3O/c1-12(2)27-19-9-7-14(21(22,23)24)10-18(19)26-20(27)25-17-5-3-4-13-6-8-15(28)11-16(13)17/h3-12,28H,1-2H3,(H,25,26)
InChIKeyZEPQPDHMXLHHHN-UHFFFAOYSA-N
MW385.39 g/mol
LogP6.24
Rot. Bonds3

About 8-[[1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]naphthalen-2-ol

8-[[1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]naphthalen-2-ol (PubChem CID 11538242) has the molecular formula C21H18F3N3O and a molecular weight of 385.39 g/mol. Its IUPAC name is 8-[[1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]naphthalen-2-ol.

Molecular Properties

Compound Name8-[[1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]naphthalen-2-ol
PubChem CID11538242
Molecular FormulaC21H18F3N3O
Molecular Weight385.39 g/mol
Exact Mass385.14
IUPAC Name8-[[1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]naphthalen-2-ol
SMILESCC(C)n1c(Nc2cccc3ccc(O)cc23)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C21H18F3N3O/c1-12(2)27-19-9-7-14(21(22,23)24)10-18(19)26-20(27)25-17-5-3-4-13-6-8-15(28)11-16(13)17/h3-12,28H,1-2H3,(H,25,26)
InChIKeyZEPQPDHMXLHHHN-UHFFFAOYSA-N
XLogP6.24
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.39
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[[1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]naphthalen-2-ol?
The IUPAC name of 8-[[1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]naphthalen-2-ol (CID 11538242) is 8-[[1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]naphthalen-2-ol.
What is the SMILES notation for 8-[[1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]naphthalen-2-ol?
The canonical SMILES for 8-[[1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]naphthalen-2-ol is CC(C)n1c(Nc2cccc3ccc(O)cc23)nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 8-[[1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]naphthalen-2-ol?
The InChIKey is ZEPQPDHMXLHHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O/c1-12(2)27-19-9-7-14(21(22,23)24)10-18(19)26-20(27)25-17-5-3-4-13-6-8-15(28)11-16(13)17/h3-12,28H,1-2H3,(H,25,26).
What are the key properties of 8-[[1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]naphthalen-2-ol?
8-[[1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]naphthalen-2-ol has a molecular weight of 385.39 g/mol, XLogP of 6.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]naphthalen-2-ol is sourced from PubChem (CID 11538242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).