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

C20H24BrN3O2 — CID 71596018

IUPAC2-[4-[6-bromo-3-(pentylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol
SMILESCCCCCNc1c(-c2ccc(OCCO)cc2)nc2ccc(Br)cn12
InChIInChI=1S/C20H24BrN3O2/c1-2-3-4-11-22-20-19(23-18-10-7-16(21)14-24(18)20)15-5-8-17(9-6-15)26-13-12-25/h5-10,14,22,25H,2-4,11-13H2,1H3
InChIKeyIGRKVLVTYXTSCH-UHFFFAOYSA-N
MW418.34 g/mol
LogP4.74
Rot. Bonds9

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

2-[4-[6-bromo-3-(pentylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol (PubChem CID 71596018) has the molecular formula C20H24BrN3O2 and a molecular weight of 418.34 g/mol. Its IUPAC name is 2-[4-[6-bromo-3-(pentylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[6-bromo-3-(pentylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol
PubChem CID71596018
Molecular FormulaC20H24BrN3O2
Molecular Weight418.34 g/mol
Exact Mass417.11
IUPAC Name2-[4-[6-bromo-3-(pentylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol
SMILESCCCCCNc1c(-c2ccc(OCCO)cc2)nc2ccc(Br)cn12
InChIInChI=1S/C20H24BrN3O2/c1-2-3-4-11-22-20-19(23-18-10-7-16(21)14-24(18)20)15-5-8-17(9-6-15)26-13-12-25/h5-10,14,22,25H,2-4,11-13H2,1H3
InChIKeyIGRKVLVTYXTSCH-UHFFFAOYSA-N
XLogP4.74
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.34
LogP ≤ 54.74
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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Related Compounds

CID 146659124
CID 146659124
CID 694963
CID 694963
CID 720519
CID 720519
CID 2876085
CID 2876085
CID 44539087
CID 44539087
CID 22390950
CID 22390950
CID 134179257
CID 134179257
CID 134179269
CID 134179269
CID 134179283
CID 134179283
CID 134179286
CID 134179286
CID 134179296
CID 134179296
CID 134179300
CID 134179300

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-bromo-3-(pentylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol?
The IUPAC name of 2-[4-[6-bromo-3-(pentylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol (CID 71596018) is 2-[4-[6-bromo-3-(pentylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol.
What is the SMILES notation for 2-[4-[6-bromo-3-(pentylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol?
The canonical SMILES for 2-[4-[6-bromo-3-(pentylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol is CCCCCNc1c(-c2ccc(OCCO)cc2)nc2ccc(Br)cn12.
What is the InChIKey of 2-[4-[6-bromo-3-(pentylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol?
The InChIKey is IGRKVLVTYXTSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3O2/c1-2-3-4-11-22-20-19(23-18-10-7-16(21)14-24(18)20)15-5-8-17(9-6-15)26-13-12-25/h5-10,14,22,25H,2-4,11-13H2,1H3.
What are the key properties of 2-[4-[6-bromo-3-(pentylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol?
2-[4-[6-bromo-3-(pentylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol has a molecular weight of 418.34 g/mol, XLogP of 4.74, 9 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-(pentylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol is sourced from PubChem (CID 71596018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).