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

C18H20BrN3O2 — CID 71596173

IUPAC2-[4-[6-bromo-3-(propan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol
SMILESCC(C)Nc1c(-c2ccc(OCCO)cc2)nc2ccc(Br)cn12
InChIInChI=1S/C18H20BrN3O2/c1-12(2)20-18-17(21-16-8-5-14(19)11-22(16)18)13-3-6-15(7-4-13)24-10-9-23/h3-8,11-12,20,23H,9-10H2,1-2H3
InChIKeyDTTRZBFJRCJXRT-UHFFFAOYSA-N
MW390.28 g/mol
LogP3.96
Rot. Bonds6

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

2-[4-[6-bromo-3-(propan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol (PubChem CID 71596173) has the molecular formula C18H20BrN3O2 and a molecular weight of 390.28 g/mol. Its IUPAC name is 2-[4-[6-bromo-3-(propan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[6-bromo-3-(propan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol
PubChem CID71596173
Molecular FormulaC18H20BrN3O2
Molecular Weight390.28 g/mol
Exact Mass389.07
IUPAC Name2-[4-[6-bromo-3-(propan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol
SMILESCC(C)Nc1c(-c2ccc(OCCO)cc2)nc2ccc(Br)cn12
InChIInChI=1S/C18H20BrN3O2/c1-12(2)20-18-17(21-16-8-5-14(19)11-22(16)18)13-3-6-15(7-4-13)24-10-9-23/h3-8,11-12,20,23H,9-10H2,1-2H3
InChIKeyDTTRZBFJRCJXRT-UHFFFAOYSA-N
XLogP3.96
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[6-bromo-3-(propan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol with MolForge

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Related Compounds

7-Methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 146659124
2-(4-Methoxyphenyl)imidazo[1,2-a]pyridine
CID 694963
2-(4-Ethoxyphenyl)imidazo[1,2-a]pyridine
CID 720519
2-(4-Propoxyphenyl)imidazo[1,2-a]pyridine
CID 2876085
2-[4-[3-(Azepan-1-yl)propoxy]-2-methylphenyl]-7-methylimidazo[1,2-a]pyridine
CID 22390950
3-(4-Propan-2-yloxyphenyl)-6-(6-propan-2-yloxy-3-pyridinyl)imidazo[1,2-a]pyridine
CID 134179257
6-(4-Propan-2-yloxyphenyl)-3-(6-propan-2-yloxy-3-pyridinyl)imidazo[1,2-a]pyridine
CID 134179269
7-Methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179283
3-(4-Cyclopropyloxyphenyl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179286
5-Methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179296
N-propan-2-yl-4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]aniline
CID 134179300
3-[4-[(2-Methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179301

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-bromo-3-(propan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol?
The IUPAC name of 2-[4-[6-bromo-3-(propan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol (CID 71596173) is 2-[4-[6-bromo-3-(propan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol.
What is the SMILES notation for 2-[4-[6-bromo-3-(propan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol?
The canonical SMILES for 2-[4-[6-bromo-3-(propan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol is CC(C)Nc1c(-c2ccc(OCCO)cc2)nc2ccc(Br)cn12.
What is the InChIKey of 2-[4-[6-bromo-3-(propan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol?
The InChIKey is DTTRZBFJRCJXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O2/c1-12(2)20-18-17(21-16-8-5-14(19)11-22(16)18)13-3-6-15(7-4-13)24-10-9-23/h3-8,11-12,20,23H,9-10H2,1-2H3.
What are the key properties of 2-[4-[6-bromo-3-(propan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol?
2-[4-[6-bromo-3-(propan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol has a molecular weight of 390.28 g/mol, XLogP of 3.96, 6 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-(propan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanol is sourced from PubChem (CID 71596173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).