2-bromo-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide

C16H12BrF3N4O — CID 53004120

IUPAC2-bromo-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide
SMILESO=C(NCCn1c(C(F)(F)F)nc2cccnc21)c1ccccc1Br
InChIInChI=1S/C16H12BrF3N4O/c17-11-5-2-1-4-10(11)14(25)22-8-9-24-13-12(6-3-7-21-13)23-15(24)16(18,19)20/h1-7H,8-9H2,(H,22,25)
InChIKeyBXGWCACNMMTFAV-UHFFFAOYSA-N
MW413.20 g/mol
LogP3.64
Rot. Bonds4

About 2-bromo-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide

2-bromo-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide (PubChem CID 53004120) has the molecular formula C16H12BrF3N4O and a molecular weight of 413.20 g/mol. Its IUPAC name is 2-bromo-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide
PubChem CID53004120
Molecular FormulaC16H12BrF3N4O
Molecular Weight413.20 g/mol
Exact Mass412.01
IUPAC Name2-bromo-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide
SMILESO=C(NCCn1c(C(F)(F)F)nc2cccnc21)c1ccccc1Br
InChIInChI=1S/C16H12BrF3N4O/c17-11-5-2-1-4-10(11)14(25)22-8-9-24-13-12(6-3-7-21-13)23-15(24)16(18,19)20/h1-7H,8-9H2,(H,22,25)
InChIKeyBXGWCACNMMTFAV-UHFFFAOYSA-N
XLogP3.64
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.20
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide
CID 53021801
2-(2-chlorophenyl)-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]acetamide
CID 53021802
1-(2-methylphenyl)-3-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea
CID 53019866
2-(1H-indol-3-yl)-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]acetamide
CID 156599885
1-(4-bromo-3-methylphenyl)-3-[3-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propyl]urea
CID 50788170
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea
CID 53004182
1-butan-2-yl-3-[3-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propyl]urea
CID 46331591
1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea
CID 53004172
1-(2,3-dimethylphenyl)-3-[3-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propyl]urea
CID 46331558
N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]furan-2-carboxamide
CID 53063111
4-[[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]benzoic acid
CID 50742731
1-(2,4-dimethylphenyl)-3-[3-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propyl]urea
CID 46331573

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide?
The IUPAC name of 2-bromo-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide (CID 53004120) is 2-bromo-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide is O=C(NCCn1c(C(F)(F)F)nc2cccnc21)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide?
The InChIKey is BXGWCACNMMTFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrF3N4O/c17-11-5-2-1-4-10(11)14(25)22-8-9-24-13-12(6-3-7-21-13)23-15(24)16(18,19)20/h1-7H,8-9H2,(H,22,25).
What are the key properties of 2-bromo-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide?
2-bromo-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide has a molecular weight of 413.20 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide is sourced from PubChem (CID 53004120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).