4-bromo-N-(4-imidazo[1,2-a]pyridin-8-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine

C21H13BrF3N5O — CID 11691641

IUPAC4-bromo-N-(4-imidazo[1,2-a]pyridin-8-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine
SMILESFC(F)(F)c1cc(Br)c2nc(Nc3ccc(Oc4cccn5ccnc45)cc3)[nH]c2c1
InChIInChI=1S/C21H13BrF3N5O/c22-15-10-12(21(23,24)25)11-16-18(15)29-20(28-16)27-13-3-5-14(6-4-13)31-17-2-1-8-30-9-7-26-19(17)30/h1-11H,(H2,27,28,29)
InChIKeyGOCBAFDDAXMGGW-UHFFFAOYSA-N
MW488.27 g/mol
LogP6.53
Rot. Bonds4

About 4-bromo-N-(4-imidazo[1,2-a]pyridin-8-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine

4-bromo-N-(4-imidazo[1,2-a]pyridin-8-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine (PubChem CID 11691641) has the molecular formula C21H13BrF3N5O and a molecular weight of 488.27 g/mol. Its IUPAC name is 4-bromo-N-(4-imidazo[1,2-a]pyridin-8-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-(4-imidazo[1,2-a]pyridin-8-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine
PubChem CID11691641
Molecular FormulaC21H13BrF3N5O
Molecular Weight488.27 g/mol
Exact Mass487.03
IUPAC Name4-bromo-N-(4-imidazo[1,2-a]pyridin-8-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine
SMILESFC(F)(F)c1cc(Br)c2nc(Nc3ccc(Oc4cccn5ccnc45)cc3)[nH]c2c1
InChIInChI=1S/C21H13BrF3N5O/c22-15-10-12(21(23,24)25)11-16-18(15)29-20(28-16)27-13-3-5-14(6-4-13)31-17-2-1-8-30-9-7-26-19(17)30/h1-11H,(H2,27,28,29)
InChIKeyGOCBAFDDAXMGGW-UHFFFAOYSA-N
XLogP6.53
TPSA67.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.27
LogP ≤ 56.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Raf265
CID 11656518
4-Bromo-6-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-ethyl}-1H-benzimidazole
CID 25105246
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
1-[2-fluoro-4-(1H-imidazo[4,5-b]pyridin-7-yloxy)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 46900113
1-[4-[[2-(dimethylamino)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-2-fluorophenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 46900265
1-[4-[[2-[(dimethylamino)methyl]-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-2-fluorophenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 46900266
6-[5-(4-fluorophenoxy)-3-pyridinyl]-1H-benzimidazol-2-amine
CID 70687214
2-(4-bromophenyl)-6-(6-phenoxy-1H-benzimidazol-2-yl)-N-phenylimidazo[1,2-a]pyridin-3-amine
CID 50907073
2-(3-Bromophenyl)-6-(4-nitrophenoxy)-1h-imidazo[4,5-b]pyridine
CID 135393789
2-(2-Bromophenyl)-6-(4-nitrophenoxy)-1h-imidazo[4,5-b]pyridine
CID 135393795
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-imidazo[1,2-a]pyridin-8-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine?
The IUPAC name of 4-bromo-N-(4-imidazo[1,2-a]pyridin-8-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine (CID 11691641) is 4-bromo-N-(4-imidazo[1,2-a]pyridin-8-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for 4-bromo-N-(4-imidazo[1,2-a]pyridin-8-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine?
The canonical SMILES for 4-bromo-N-(4-imidazo[1,2-a]pyridin-8-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine is FC(F)(F)c1cc(Br)c2nc(Nc3ccc(Oc4cccn5ccnc45)cc3)[nH]c2c1.
What is the InChIKey of 4-bromo-N-(4-imidazo[1,2-a]pyridin-8-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine?
The InChIKey is GOCBAFDDAXMGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13BrF3N5O/c22-15-10-12(21(23,24)25)11-16-18(15)29-20(28-16)27-13-3-5-14(6-4-13)31-17-2-1-8-30-9-7-26-19(17)30/h1-11H,(H2,27,28,29).
What are the key properties of 4-bromo-N-(4-imidazo[1,2-a]pyridin-8-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine?
4-bromo-N-(4-imidazo[1,2-a]pyridin-8-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine has a molecular weight of 488.27 g/mol, XLogP of 6.53, 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]pyridin-8-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 11691641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).