8-[[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]naphthalen-2-ol

C18H11ClF3N3O — CID 11530958

IUPAC8-[[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]naphthalen-2-ol
SMILESOc1ccc2cccc(Nc3nc4c(Cl)cc(C(F)(F)F)cc4[nH]3)c2c1
InChIInChI=1S/C18H11ClF3N3O/c19-13-6-10(18(20,21)22)7-15-16(13)25-17(24-15)23-14-3-1-2-9-4-5-11(26)8-12(9)14/h1-8,26H,(H2,23,24,25)
InChIKeyNWGGQQHDMCHTFR-UHFFFAOYSA-N
MW377.75 g/mol
LogP5.84
Rot. Bonds2

About 8-[[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]naphthalen-2-ol

8-[[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]naphthalen-2-ol (PubChem CID 11530958) has the molecular formula C18H11ClF3N3O and a molecular weight of 377.75 g/mol. Its IUPAC name is 8-[[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]naphthalen-2-ol.

Molecular Properties

Compound Name8-[[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]naphthalen-2-ol
PubChem CID11530958
Molecular FormulaC18H11ClF3N3O
Molecular Weight377.75 g/mol
Exact Mass377.05
IUPAC Name8-[[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]naphthalen-2-ol
SMILESOc1ccc2cccc(Nc3nc4c(Cl)cc(C(F)(F)F)cc4[nH]3)c2c1
InChIInChI=1S/C18H11ClF3N3O/c19-13-6-10(18(20,21)22)7-15-16(13)25-17(24-15)23-14-3-1-2-9-4-5-11(26)8-12(9)14/h1-8,26H,(H2,23,24,25)
InChIKeyNWGGQQHDMCHTFR-UHFFFAOYSA-N
XLogP5.84
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.75
LogP ≤ 55.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]naphthalen-2-ol?
The IUPAC name of 8-[[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]naphthalen-2-ol (CID 11530958) is 8-[[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]naphthalen-2-ol.
What is the SMILES notation for 8-[[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]naphthalen-2-ol?
The canonical SMILES for 8-[[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]naphthalen-2-ol is Oc1ccc2cccc(Nc3nc4c(Cl)cc(C(F)(F)F)cc4[nH]3)c2c1.
What is the InChIKey of 8-[[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]naphthalen-2-ol?
The InChIKey is NWGGQQHDMCHTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF3N3O/c19-13-6-10(18(20,21)22)7-15-16(13)25-17(24-15)23-14-3-1-2-9-4-5-11(26)8-12(9)14/h1-8,26H,(H2,23,24,25).
What are the key properties of 8-[[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]naphthalen-2-ol?
8-[[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]naphthalen-2-ol has a molecular weight of 377.75 g/mol, XLogP of 5.84, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]naphthalen-2-ol is sourced from PubChem (CID 11530958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).