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

C19H20BrN3O3 — CID 66545745

IUPAC2-[4-[6-bromo-3-(butylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]acetic acid
SMILESCCCCNc1c(-c2ccc(OCC(=O)O)cc2)nc2ccc(Br)cn12
InChIInChI=1S/C19H20BrN3O3/c1-2-3-10-21-19-18(22-16-9-6-14(20)11-23(16)19)13-4-7-15(8-5-13)26-12-17(24)25/h4-9,11,21H,2-3,10,12H2,1H3,(H,24,25)
InChIKeyOZIYUZINTQIIAN-UHFFFAOYSA-N
MW418.29 g/mol
LogP4.44
Rot. Bonds8

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

2-[4-[6-bromo-3-(butylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]acetic acid (PubChem CID 66545745) has the molecular formula C19H20BrN3O3 and a molecular weight of 418.29 g/mol. Its IUPAC name is 2-[4-[6-bromo-3-(butylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[6-bromo-3-(butylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]acetic acid
PubChem CID66545745
Molecular FormulaC19H20BrN3O3
Molecular Weight418.29 g/mol
Exact Mass417.07
IUPAC Name2-[4-[6-bromo-3-(butylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]acetic acid
SMILESCCCCNc1c(-c2ccc(OCC(=O)O)cc2)nc2ccc(Br)cn12
InChIInChI=1S/C19H20BrN3O3/c1-2-3-10-21-19-18(22-16-9-6-14(20)11-23(16)19)13-4-7-15(8-5-13)26-12-17(24)25/h4-9,11,21H,2-3,10,12H2,1H3,(H,24,25)
InChIKeyOZIYUZINTQIIAN-UHFFFAOYSA-N
XLogP4.44
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.29
LogP ≤ 54.44
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

2-(4-Ethoxyphenyl)imidazo[1,2-a]pyridine
CID 720519
2-(4-Propoxyphenyl)imidazo[1,2-a]pyridine
CID 2876085
N-propan-2-yl-4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]aniline
CID 134179300
2-(3-Bromo-4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridine
CID 843170
2-(3-Bromo-4-methoxyphenyl)-8-methylimidazo[1,2-a]pyridine
CID 886524
4-[6-Bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenol
CID 1154287
Dimethyl-{3-[4-(8-methyl-imidazo[1,2-a]pyridin-2-yl)-phenoxy]-propyl}-amine
CID 9839643
Dibutyl-{3-[4-(8-methyl-imidazo[1,2-a]pyridin-2-yl)-phenoxy]-propyl}-amine
CID 9865378
2-(4-Piperidinopropoxyphenyl)-8-methylimidazo[1,2-a]pyridine
CID 9902971
2-(4-Pyrrolidinopropoxyphenyl)-7-methylimidazo[1,2-a]pyridine
CID 9945660
{3-[4-(8-Methyl-imidazo[1,2-a]pyridin-2-yl)-phenoxy]-propyl}-dipropyl-amine
CID 9947283
2-[4-(3-Azepan-1-yl-propoxy)-phenyl]-7-methyl-imidazo[1,2-a]pyridine
CID 9969015

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-bromo-3-(butylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[6-bromo-3-(butylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]acetic acid (CID 66545745) is 2-[4-[6-bromo-3-(butylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[6-bromo-3-(butylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[6-bromo-3-(butylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]acetic acid is CCCCNc1c(-c2ccc(OCC(=O)O)cc2)nc2ccc(Br)cn12.
What is the InChIKey of 2-[4-[6-bromo-3-(butylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]acetic acid?
The InChIKey is OZIYUZINTQIIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O3/c1-2-3-10-21-19-18(22-16-9-6-14(20)11-23(16)19)13-4-7-15(8-5-13)26-12-17(24)25/h4-9,11,21H,2-3,10,12H2,1H3,(H,24,25).
What are the key properties of 2-[4-[6-bromo-3-(butylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]acetic acid?
2-[4-[6-bromo-3-(butylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]acetic acid has a molecular weight of 418.29 g/mol, XLogP of 4.44, 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]acetic acid is sourced from PubChem (CID 66545745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).