2-[4-[6-bromo-3-(butylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol

C19H22BrN3O2 — CID 71595956

IUPAC2-[4-[6-bromo-3-(butylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol
SMILESCCCCNc1c(-c2ccc(OCCO)cc2)nc2ccc(Br)cn12
InChIInChI=1S/C19H22BrN3O2/c1-2-3-10-21-19-18(22-17-9-6-15(20)13-23(17)19)14-4-7-16(8-5-14)25-12-11-24/h4-9,13,21,24H,2-3,10-12H2,1H3
InChIKeyADIXALVHXCPHRC-UHFFFAOYSA-N
MW404.31 g/mol
LogP4.35
Rot. Bonds8

About 2-[4-[6-bromo-3-(butylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol

2-[4-[6-bromo-3-(butylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol (PubChem CID 71595956) has the molecular formula C19H22BrN3O2 and a molecular weight of 404.31 g/mol. Its IUPAC name is 2-[4-[6-bromo-3-(butylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[6-bromo-3-(butylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol
PubChem CID71595956
Molecular FormulaC19H22BrN3O2
Molecular Weight404.31 g/mol
Exact Mass403.09
IUPAC Name2-[4-[6-bromo-3-(butylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol
SMILESCCCCNc1c(-c2ccc(OCCO)cc2)nc2ccc(Br)cn12
InChIInChI=1S/C19H22BrN3O2/c1-2-3-10-21-19-18(22-17-9-6-15(20)13-23(17)19)14-4-7-16(8-5-14)25-12-11-24/h4-9,13,21,24H,2-3,10-12H2,1H3
InChIKeyADIXALVHXCPHRC-UHFFFAOYSA-N
XLogP4.35
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.31
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-bromo-3-(butylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol?
The IUPAC name of 2-[4-[6-bromo-3-(butylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol (CID 71595956) is 2-[4-[6-bromo-3-(butylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol.
What is the SMILES notation for 2-[4-[6-bromo-3-(butylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol?
The canonical SMILES for 2-[4-[6-bromo-3-(butylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol is CCCCNc1c(-c2ccc(OCCO)cc2)nc2ccc(Br)cn12.
What is the InChIKey of 2-[4-[6-bromo-3-(butylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol?
The InChIKey is ADIXALVHXCPHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O2/c1-2-3-10-21-19-18(22-17-9-6-15(20)13-23(17)19)14-4-7-16(8-5-14)25-12-11-24/h4-9,13,21,24H,2-3,10-12H2,1H3.
What are the key properties of 2-[4-[6-bromo-3-(butylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol?
2-[4-[6-bromo-3-(butylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol has a molecular weight of 404.31 g/mol, XLogP of 4.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-bromo-3-(butylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol is sourced from PubChem (CID 71595956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).