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

C18H12F3N3O — CID 11537466

IUPAC6-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]naphthalen-1-ol
SMILESOc1cccc2cc(Nc3nc4ccc(C(F)(F)F)cc4[nH]3)ccc12
InChIInChI=1S/C18H12F3N3O/c19-18(20,21)11-4-7-14-15(9-11)24-17(23-14)22-12-5-6-13-10(8-12)2-1-3-16(13)25/h1-9,25H,(H2,22,23,24)
InChIKeyWLCQNKNAWFFFBW-UHFFFAOYSA-N
MW343.31 g/mol
LogP5.18
Rot. Bonds2

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

6-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]naphthalen-1-ol (PubChem CID 11537466) has the molecular formula C18H12F3N3O and a molecular weight of 343.31 g/mol. Its IUPAC name is 6-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]naphthalen-1-ol.

Molecular Properties

Compound Name6-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]naphthalen-1-ol
PubChem CID11537466
Molecular FormulaC18H12F3N3O
Molecular Weight343.31 g/mol
Exact Mass343.09
IUPAC Name6-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]naphthalen-1-ol
SMILESOc1cccc2cc(Nc3nc4ccc(C(F)(F)F)cc4[nH]3)ccc12
InChIInChI=1S/C18H12F3N3O/c19-18(20,21)11-4-7-14-15(9-11)24-17(23-14)22-12-5-6-13-10(8-12)2-1-3-16(13)25/h1-9,25H,(H2,22,23,24)
InChIKeyWLCQNKNAWFFFBW-UHFFFAOYSA-N
XLogP5.18
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.31
LogP ≤ 55.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]naphthalen-1-ol?
The IUPAC name of 6-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]naphthalen-1-ol (CID 11537466) is 6-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]naphthalen-1-ol.
What is the SMILES notation for 6-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]naphthalen-1-ol?
The canonical SMILES for 6-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]naphthalen-1-ol is Oc1cccc2cc(Nc3nc4ccc(C(F)(F)F)cc4[nH]3)ccc12.
What is the InChIKey of 6-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]naphthalen-1-ol?
The InChIKey is WLCQNKNAWFFFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O/c19-18(20,21)11-4-7-14-15(9-11)24-17(23-14)22-12-5-6-13-10(8-12)2-1-3-16(13)25/h1-9,25H,(H2,22,23,24).
What are the key properties of 6-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]naphthalen-1-ol?
6-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]naphthalen-1-ol has a molecular weight of 343.31 g/mol, XLogP of 5.18, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]naphthalen-1-ol is sourced from PubChem (CID 11537466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).