4-bromo-N-[4-(1H-indol-6-yloxy)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine

C22H14BrF3N4O — CID 11504049

IUPAC4-bromo-N-[4-(1H-indol-6-yloxy)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine
SMILESFC(F)(F)c1cc(Br)c2nc(Nc3ccc(Oc4ccc5cc[nH]c5c4)cc3)[nH]c2c1
InChIInChI=1S/C22H14BrF3N4O/c23-17-9-13(22(24,25)26)10-19-20(17)30-21(29-19)28-14-2-5-15(6-3-14)31-16-4-1-12-7-8-27-18(12)11-16/h1-11,27H,(H2,28,29,30)
InChIKeyZLCDYGBYYSMNLR-UHFFFAOYSA-N
MW487.28 g/mol
LogP7.36
Rot. Bonds4

About 4-bromo-N-[4-(1H-indol-6-yloxy)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine

4-bromo-N-[4-(1H-indol-6-yloxy)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine (PubChem CID 11504049) has the molecular formula C22H14BrF3N4O and a molecular weight of 487.28 g/mol. Its IUPAC name is 4-bromo-N-[4-(1H-indol-6-yloxy)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-[4-(1H-indol-6-yloxy)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine
PubChem CID11504049
Molecular FormulaC22H14BrF3N4O
Molecular Weight487.28 g/mol
Exact Mass486.03
IUPAC Name4-bromo-N-[4-(1H-indol-6-yloxy)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine
SMILESFC(F)(F)c1cc(Br)c2nc(Nc3ccc(Oc4ccc5cc[nH]c5c4)cc3)[nH]c2c1
InChIInChI=1S/C22H14BrF3N4O/c23-17-9-13(22(24,25)26)10-19-20(17)30-21(29-19)28-14-2-5-15(6-3-14)31-16-4-1-12-7-8-27-18(12)11-16/h1-11,27H,(H2,28,29,30)
InChIKeyZLCDYGBYYSMNLR-UHFFFAOYSA-N
XLogP7.36
TPSA65.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.28
LogP ≤ 57.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Raf265
CID 11656518
N-(3-tert-butylphenyl)-1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxybenzimidazol-2-amine
CID 16064750
N-(4-tert-butylphenyl)-1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxybenzimidazol-2-amine
CID 16064288
1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]benzimidazol-2-amine
CID 16064449
N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxybenzimidazol-2-amine
CID 16064891
N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methyl-5-[2-(5-methyl-1H-imidazol-2-yl)pyridin-4-yl]oxybenzimidazol-2-amine
CID 16064893
RAF-265 derivative
CID 23654923
1-methyl-6-[[2-[2-(trifluoromethyl)-1H-imidazol-5-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine
CID 57399335
2-[2-(3H-benzimidazol-5-yl)-3H-benzimidazol-5-yl]-6-bromo-5-methoxy-1H-benzimidazole
CID 9955832
5-(4-fluoro-phenoxy)-2-pyridin-2-yl-6-pyrrolidin-2-yl-1H-benzimidazole
CID 23145575
2-(4-bromophenyl)-6-(6-phenoxy-1H-benzimidazol-2-yl)-N-phenylimidazo[1,2-a]pyridin-3-amine
CID 50907073
4-bromo-N-[2-(2-tert-butylphenoxy)pyridin-3-yl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine
CID 11179654

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-(1H-indol-6-yloxy)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine?
The IUPAC name of 4-bromo-N-[4-(1H-indol-6-yloxy)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine (CID 11504049) is 4-bromo-N-[4-(1H-indol-6-yloxy)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for 4-bromo-N-[4-(1H-indol-6-yloxy)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine?
The canonical SMILES for 4-bromo-N-[4-(1H-indol-6-yloxy)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine is FC(F)(F)c1cc(Br)c2nc(Nc3ccc(Oc4ccc5cc[nH]c5c4)cc3)[nH]c2c1.
What is the InChIKey of 4-bromo-N-[4-(1H-indol-6-yloxy)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine?
The InChIKey is ZLCDYGBYYSMNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14BrF3N4O/c23-17-9-13(22(24,25)26)10-19-20(17)30-21(29-19)28-14-2-5-15(6-3-14)31-16-4-1-12-7-8-27-18(12)11-16/h1-11,27H,(H2,28,29,30).
What are the key properties of 4-bromo-N-[4-(1H-indol-6-yloxy)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine?
4-bromo-N-[4-(1H-indol-6-yloxy)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine has a molecular weight of 487.28 g/mol, XLogP of 7.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-(1H-indol-6-yloxy)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 11504049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).