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

C19H21N3O — CID 809545

IUPAC4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenol
SMILESOc1ccc(-c2nc3ccccn3c2NC2CCCCC2)cc1
InChIInChI=1S/C19H21N3O/c23-16-11-9-14(10-12-16)18-19(20-15-6-2-1-3-7-15)22-13-5-4-8-17(22)21-18/h4-5,8-13,15,20,23H,1-3,6-7H2
InChIKeyZVBYBFPFWWXBNP-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.45
Rot. Bonds3

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

4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenol (PubChem CID 809545) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenol.

Molecular Properties

Compound Name4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenol
PubChem CID809545
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenol
SMILESOc1ccc(-c2nc3ccccn3c2NC2CCCCC2)cc1
InChIInChI=1S/C19H21N3O/c23-16-11-9-14(10-12-16)18-19(20-15-6-2-1-3-7-15)22-13-5-4-8-17(22)21-18/h4-5,8-13,15,20,23H,1-3,6-7H2
InChIKeyZVBYBFPFWWXBNP-UHFFFAOYSA-N
XLogP4.45
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenol?
The IUPAC name of 4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenol (CID 809545) is 4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenol.
What is the SMILES notation for 4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenol?
The canonical SMILES for 4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenol is Oc1ccc(-c2nc3ccccn3c2NC2CCCCC2)cc1.
What is the InChIKey of 4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenol?
The InChIKey is ZVBYBFPFWWXBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c23-16-11-9-14(10-12-16)18-19(20-15-6-2-1-3-7-15)22-13-5-4-8-17(22)21-18/h4-5,8-13,15,20,23H,1-3,6-7H2.
What are the key properties of 4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenol?
4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenol has a molecular weight of 307.40 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenol is sourced from PubChem (CID 809545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).