4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenol

C19H20BrN3O — CID 1154287

IUPAC4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenol
SMILESOc1ccc(-c2nc3ccc(Br)cn3c2NC2CCCCC2)cc1
InChIInChI=1S/C19H20BrN3O/c20-14-8-11-17-22-18(13-6-9-16(24)10-7-13)19(23(17)12-14)21-15-4-2-1-3-5-15/h6-12,15,21,24H,1-5H2
InChIKeyHUDNRQCBCHUNHF-UHFFFAOYSA-N
MW386.29 g/mol
LogP5.21
Rot. Bonds3

About 4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenol

4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenol (PubChem CID 1154287) has the molecular formula C19H20BrN3O and a molecular weight of 386.29 g/mol. Its IUPAC name is 4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenol.

Molecular Properties

Compound Name4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenol
PubChem CID1154287
Molecular FormulaC19H20BrN3O
Molecular Weight386.29 g/mol
Exact Mass385.08
IUPAC Name4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenol
SMILESOc1ccc(-c2nc3ccc(Br)cn3c2NC2CCCCC2)cc1
InChIInChI=1S/C19H20BrN3O/c20-14-8-11-17-22-18(13-6-9-16(24)10-7-13)19(23(17)12-14)21-15-4-2-1-3-5-15/h6-12,15,21,24H,1-5H2
InChIKeyHUDNRQCBCHUNHF-UHFFFAOYSA-N
XLogP5.21
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.29
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenol?
The IUPAC name of 4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenol (CID 1154287) is 4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenol.
What is the SMILES notation for 4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenol?
The canonical SMILES for 4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenol is Oc1ccc(-c2nc3ccc(Br)cn3c2NC2CCCCC2)cc1.
What is the InChIKey of 4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenol?
The InChIKey is HUDNRQCBCHUNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O/c20-14-8-11-17-22-18(13-6-9-16(24)10-7-13)19(23(17)12-14)21-15-4-2-1-3-5-15/h6-12,15,21,24H,1-5H2.
What are the key properties of 4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenol?
4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenol has a molecular weight of 386.29 g/mol, XLogP of 5.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenol is sourced from PubChem (CID 1154287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).