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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Related Compounds

N-[2-(2,1,3-benzothiadiazol-4-yloxy)phenyl]-4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-amine
CID 69446762
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-amine
CID 11408561
8-[[1-propan-2-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]naphthalen-2-ol
CID 11538242
4-chloro-2-(4-piperidin-1-ylphenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 130237641
2-(3-chloro-2-methylanilino)-7-hydroxy-3H-benzimidazole-5-carbonitrile
CID 11437999
6-chloro-N-(2,6-dichlorophenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715985
1-(3,4-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea
CID 54581582
4-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]-3-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one
CID 135681889
4-(4-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol
CID 136903772
ethyl 5-[4-[[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]phenoxy]-2,3-dihydro-1H-indole-2-carboxylate
CID 71221370
N-(2-chlorophenyl)-1H-benzimidazol-2-amine
CID 4088446
6-N-(2-chlorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717101

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).