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

C19H20ClN3O — CID 143959387

IUPAC5-chloro-2-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenol
SMILESOc1cc(Cl)ccc1-c1nc2ccccn2c1NC1CCCCC1
InChIInChI=1S/C19H20ClN3O/c20-13-9-10-15(16(24)12-13)18-19(21-14-6-2-1-3-7-14)23-11-5-4-8-17(23)22-18/h4-5,8-12,14,21,24H,1-3,6-7H2
InChIKeyNUQYFQVWLMHZPA-UHFFFAOYSA-N
MW341.84 g/mol
LogP5.10
Rot. Bonds3

About 5-chloro-2-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenol

5-chloro-2-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenol (PubChem CID 143959387) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is 5-chloro-2-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenol.

Molecular Properties

Compound Name5-chloro-2-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenol
PubChem CID143959387
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC Name5-chloro-2-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenol
SMILESOc1cc(Cl)ccc1-c1nc2ccccn2c1NC1CCCCC1
InChIInChI=1S/C19H20ClN3O/c20-13-9-10-15(16(24)12-13)18-19(21-14-6-2-1-3-7-14)23-11-5-4-8-17(23)22-18/h4-5,8-12,14,21,24H,1-3,6-7H2
InChIKeyNUQYFQVWLMHZPA-UHFFFAOYSA-N
XLogP5.10
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.84
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenol?
The IUPAC name of 5-chloro-2-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenol (CID 143959387) is 5-chloro-2-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenol.
What is the SMILES notation for 5-chloro-2-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenol?
The canonical SMILES for 5-chloro-2-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenol is Oc1cc(Cl)ccc1-c1nc2ccccn2c1NC1CCCCC1.
What is the InChIKey of 5-chloro-2-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenol?
The InChIKey is NUQYFQVWLMHZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O/c20-13-9-10-15(16(24)12-13)18-19(21-14-6-2-1-3-7-14)23-11-5-4-8-17(23)22-18/h4-5,8-12,14,21,24H,1-3,6-7H2.
What are the key properties of 5-chloro-2-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenol?
5-chloro-2-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenol has a molecular weight of 341.84 g/mol, XLogP of 5.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenol is sourced from PubChem (CID 143959387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).