4-(5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzoic acid

C15H16N2O2 — CID 117158327

IUPAC4-(5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzoic acid
SMILESCC1CCCc2nc(-c3ccc(C(=O)O)cc3)cn21
InChIInChI=1S/C15H16N2O2/c1-10-3-2-4-14-16-13(9-17(10)14)11-5-7-12(8-6-11)15(18)19/h5-10H,2-4H2,1H3,(H,18,19)
InChIKeyIMFUNUNYCAYFCL-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.15
Rot. Bonds2

About 4-(5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzoic acid

4-(5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzoic acid (PubChem CID 117158327) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-(5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzoic acid.

Molecular Properties

Compound Name4-(5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzoic acid
PubChem CID117158327
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name4-(5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzoic acid
SMILESCC1CCCc2nc(-c3ccc(C(=O)O)cc3)cn21
InChIInChI=1S/C15H16N2O2/c1-10-3-2-4-14-16-13(9-17(10)14)11-5-7-12(8-6-11)15(18)19/h5-10H,2-4H2,1H3,(H,18,19)
InChIKeyIMFUNUNYCAYFCL-UHFFFAOYSA-N
XLogP3.15
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzoic acid?
The IUPAC name of 4-(5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzoic acid (CID 117158327) is 4-(5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzoic acid.
What is the SMILES notation for 4-(5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzoic acid?
The canonical SMILES for 4-(5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzoic acid is CC1CCCc2nc(-c3ccc(C(=O)O)cc3)cn21.
What is the InChIKey of 4-(5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzoic acid?
The InChIKey is IMFUNUNYCAYFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10-3-2-4-14-16-13(9-17(10)14)11-5-7-12(8-6-11)15(18)19/h5-10H,2-4H2,1H3,(H,18,19).
What are the key properties of 4-(5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzoic acid?
4-(5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzoic acid has a molecular weight of 256.31 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzoic acid is sourced from PubChem (CID 117158327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).