4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol

C19H21N3O2 — CID 861674

IUPAC4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol
SMILESOc1ccc(-c2nc3ccccn3c2NC2CCCCC2)c(O)c1
InChIInChI=1S/C19H21N3O2/c23-14-9-10-15(16(24)12-14)18-19(20-13-6-2-1-3-7-13)22-11-5-4-8-17(22)21-18/h4-5,8-13,20,23-24H,1-3,6-7H2
InChIKeyWEHQYQHFNLWYRX-UHFFFAOYSA-N
MW323.40 g/mol
LogP4.16
Rot. Bonds3

About 4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol

4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol (PubChem CID 861674) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol
PubChem CID861674
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol
SMILESOc1ccc(-c2nc3ccccn3c2NC2CCCCC2)c(O)c1
InChIInChI=1S/C19H21N3O2/c23-14-9-10-15(16(24)12-14)18-19(20-13-6-2-1-3-7-13)22-11-5-4-8-17(22)21-18/h4-5,8-13,20,23-24H,1-3,6-7H2
InChIKeyWEHQYQHFNLWYRX-UHFFFAOYSA-N
XLogP4.16
TPSA69.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol?
The IUPAC name of 4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol (CID 861674) is 4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol?
The canonical SMILES for 4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol is Oc1ccc(-c2nc3ccccn3c2NC2CCCCC2)c(O)c1.
What is the InChIKey of 4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol?
The InChIKey is WEHQYQHFNLWYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-14-9-10-15(16(24)12-14)18-19(20-13-6-2-1-3-7-13)22-11-5-4-8-17(22)21-18/h4-5,8-13,20,23-24H,1-3,6-7H2.
What are the key properties of 4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol?
4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol has a molecular weight of 323.40 g/mol, XLogP of 4.16, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]benzene-1,3-diol is sourced from PubChem (CID 861674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).