8-(cyclohexylmethoxy)-2-propylimidazo[1,2-a]pyridine-3-carboxylic acid

C18H24N2O3 — CID 90132429

IUPAC8-(cyclohexylmethoxy)-2-propylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCCCc1nc2c(OCC3CCCCC3)cccn2c1C(=O)O
InChIInChI=1S/C18H24N2O3/c1-2-7-14-16(18(21)22)20-11-6-10-15(17(20)19-14)23-12-13-8-4-3-5-9-13/h6,10-11,13H,2-5,7-9,12H2,1H3,(H,21,22)
InChIKeyAXIMEBWBPBZFPE-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.94
Rot. Bonds6

About 8-(cyclohexylmethoxy)-2-propylimidazo[1,2-a]pyridine-3-carboxylic acid

8-(cyclohexylmethoxy)-2-propylimidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 90132429) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 8-(cyclohexylmethoxy)-2-propylimidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name8-(cyclohexylmethoxy)-2-propylimidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID90132429
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name8-(cyclohexylmethoxy)-2-propylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCCCc1nc2c(OCC3CCCCC3)cccn2c1C(=O)O
InChIInChI=1S/C18H24N2O3/c1-2-7-14-16(18(21)22)20-11-6-10-15(17(20)19-14)23-12-13-8-4-3-5-9-13/h6,10-11,13H,2-5,7-9,12H2,1H3,(H,21,22)
InChIKeyAXIMEBWBPBZFPE-UHFFFAOYSA-N
XLogP3.94
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(cyclohexylmethoxy)-2-propylimidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 8-(cyclohexylmethoxy)-2-propylimidazo[1,2-a]pyridine-3-carboxylic acid (CID 90132429) is 8-(cyclohexylmethoxy)-2-propylimidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 8-(cyclohexylmethoxy)-2-propylimidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 8-(cyclohexylmethoxy)-2-propylimidazo[1,2-a]pyridine-3-carboxylic acid is CCCc1nc2c(OCC3CCCCC3)cccn2c1C(=O)O.
What is the InChIKey of 8-(cyclohexylmethoxy)-2-propylimidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is AXIMEBWBPBZFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-2-7-14-16(18(21)22)20-11-6-10-15(17(20)19-14)23-12-13-8-4-3-5-9-13/h6,10-11,13H,2-5,7-9,12H2,1H3,(H,21,22).
What are the key properties of 8-(cyclohexylmethoxy)-2-propylimidazo[1,2-a]pyridine-3-carboxylic acid?
8-(cyclohexylmethoxy)-2-propylimidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 316.40 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclohexylmethoxy)-2-propylimidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 90132429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).