[5-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]carbamic acid

C16H12F3N3O2 — CID 71030812

IUPAC[5-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]carbamic acid
SMILESCc1cccc2nc(NC(=O)O)c(-c3cccc(C(F)(F)F)c3)n12
InChIInChI=1S/C16H12F3N3O2/c1-9-4-2-7-12-20-14(21-15(23)24)13(22(9)12)10-5-3-6-11(8-10)16(17,18)19/h2-8,21H,1H3,(H,23,24)
InChIKeyQMNFIYUBNQVXJL-UHFFFAOYSA-N
MW335.29 g/mol
LogP4.42
Rot. Bonds2

About [5-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]carbamic acid

[5-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]carbamic acid (PubChem CID 71030812) has the molecular formula C16H12F3N3O2 and a molecular weight of 335.29 g/mol. Its IUPAC name is [5-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]carbamic acid.

Molecular Properties

Compound Name[5-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]carbamic acid
PubChem CID71030812
Molecular FormulaC16H12F3N3O2
Molecular Weight335.29 g/mol
Exact Mass335.09
IUPAC Name[5-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]carbamic acid
SMILESCc1cccc2nc(NC(=O)O)c(-c3cccc(C(F)(F)F)c3)n12
InChIInChI=1S/C16H12F3N3O2/c1-9-4-2-7-12-20-14(21-15(23)24)13(22(9)12)10-5-3-6-11(8-10)16(17,18)19/h2-8,21H,1H3,(H,23,24)
InChIKeyQMNFIYUBNQVXJL-UHFFFAOYSA-N
XLogP4.42
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]carbamic acid?
The IUPAC name of [5-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]carbamic acid (CID 71030812) is [5-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]carbamic acid.
What is the SMILES notation for [5-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]carbamic acid?
The canonical SMILES for [5-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]carbamic acid is Cc1cccc2nc(NC(=O)O)c(-c3cccc(C(F)(F)F)c3)n12.
What is the InChIKey of [5-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]carbamic acid?
The InChIKey is QMNFIYUBNQVXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2/c1-9-4-2-7-12-20-14(21-15(23)24)13(22(9)12)10-5-3-6-11(8-10)16(17,18)19/h2-8,21H,1H3,(H,23,24).
What are the key properties of [5-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]carbamic acid?
[5-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]carbamic acid has a molecular weight of 335.29 g/mol, XLogP of 4.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]carbamic acid is sourced from PubChem (CID 71030812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).