4-bromo-N-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine

C25H15BrF3N5O — CID 11555640

IUPAC4-bromo-N-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine
SMILESFC(F)(F)c1cc(Br)c2nc(Nc3ccc(Oc4cccc5ccc6nccn6c45)cc3)[nH]c2c1
InChIInChI=1S/C25H15BrF3N5O/c26-18-12-15(25(27,28)29)13-19-22(18)33-24(32-19)31-16-5-7-17(8-6-16)35-20-3-1-2-14-4-9-21-30-10-11-34(21)23(14)20/h1-13H,(H2,31,32,33)
InChIKeyMFJORLACWPPWCX-UHFFFAOYSA-N
MW538.33 g/mol
LogP7.68
Rot. Bonds4

About 4-bromo-N-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine

4-bromo-N-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine (PubChem CID 11555640) has the molecular formula C25H15BrF3N5O and a molecular weight of 538.33 g/mol. Its IUPAC name is 4-bromo-N-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine
PubChem CID11555640
Molecular FormulaC25H15BrF3N5O
Molecular Weight538.33 g/mol
Exact Mass537.04
IUPAC Name4-bromo-N-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine
SMILESFC(F)(F)c1cc(Br)c2nc(Nc3ccc(Oc4cccc5ccc6nccn6c45)cc3)[nH]c2c1
InChIInChI=1S/C25H15BrF3N5O/c26-18-12-15(25(27,28)29)13-19-22(18)33-24(32-19)31-16-5-7-17(8-6-16)35-20-3-1-2-14-4-9-21-30-10-11-34(21)23(14)20/h1-13H,(H2,31,32,33)
InChIKeyMFJORLACWPPWCX-UHFFFAOYSA-N
XLogP7.68
TPSA67.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.33
LogP ≤ 57.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-(4-pyridin-3-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine
CID 11190124
4-bromo-N-(4-pyridin-4-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine
CID 11236250
4-bromo-N-[4-(1H-indol-6-yloxy)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine
CID 11504049
4-chloro-N-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine
CID 11511569
4-bromo-N-[4-(1H-indol-5-yloxy)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine
CID 11518748
4-bromo-N-(4-imidazo[1,2-a]pyridin-8-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine
CID 11691641
4-bromo-6-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenoxy]pyridin-3-yl]-1H-benzimidazol-2-amine
CID 11785650
[8-[4-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-(5-methoxy-2-pyridinyl)-2,3-dihydro-1,4-benzoxazin-3-yl]methanol
CID 53390998
1-(4-Imidazo[1,2-a]quinolin-9-yloxyphenyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 58734229
1-[2-Fluoro-5-(trifluoromethyl)phenyl]-3-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)urea
CID 58734231
8-[4-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-(5-methylpyridin-2-yl)-2,3-dihydro-1,4-benzoxazine
CID 67094614
[(3S)-8-[4-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-(5-ethylpyridin-2-yl)-2,3-dihydro-1,4-benzoxazin-3-yl]methanol
CID 67094771

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine?
The IUPAC name of 4-bromo-N-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine (CID 11555640) is 4-bromo-N-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for 4-bromo-N-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine?
The canonical SMILES for 4-bromo-N-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine is FC(F)(F)c1cc(Br)c2nc(Nc3ccc(Oc4cccc5ccc6nccn6c45)cc3)[nH]c2c1.
What is the InChIKey of 4-bromo-N-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine?
The InChIKey is MFJORLACWPPWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15BrF3N5O/c26-18-12-15(25(27,28)29)13-19-22(18)33-24(32-19)31-16-5-7-17(8-6-16)35-20-3-1-2-14-4-9-21-30-10-11-34(21)23(14)20/h1-13H,(H2,31,32,33).
What are the key properties of 4-bromo-N-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine?
4-bromo-N-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine has a molecular weight of 538.33 g/mol, XLogP of 7.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-imidazo[1,2-a]quinolin-9-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 11555640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).