3-bromo-8-[(2,6-dichloro-3-pyrrolidin-1-ylphenyl)methoxy]-2-methylimidazo[1,2-a]pyridine

C19H18BrCl2N3O — CID 23371756

IUPAC3-bromo-8-[(2,6-dichloro-3-pyrrolidin-1-ylphenyl)methoxy]-2-methylimidazo[1,2-a]pyridine
SMILESCc1nc2c(OCc3c(Cl)ccc(N4CCCC4)c3Cl)cccn2c1Br
InChIInChI=1S/C19H18BrCl2N3O/c1-12-18(20)25-10-4-5-16(19(25)23-12)26-11-13-14(21)6-7-15(17(13)22)24-8-2-3-9-24/h4-7,10H,2-3,8-9,11H2,1H3
InChIKeyRQXGLSZGJAYOLX-UHFFFAOYSA-N
MW455.18 g/mol
LogP5.89
Rot. Bonds4

About 3-bromo-8-[(2,6-dichloro-3-pyrrolidin-1-ylphenyl)methoxy]-2-methylimidazo[1,2-a]pyridine

3-bromo-8-[(2,6-dichloro-3-pyrrolidin-1-ylphenyl)methoxy]-2-methylimidazo[1,2-a]pyridine (PubChem CID 23371756) has the molecular formula C19H18BrCl2N3O and a molecular weight of 455.18 g/mol. Its IUPAC name is 3-bromo-8-[(2,6-dichloro-3-pyrrolidin-1-ylphenyl)methoxy]-2-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-bromo-8-[(2,6-dichloro-3-pyrrolidin-1-ylphenyl)methoxy]-2-methylimidazo[1,2-a]pyridine
PubChem CID23371756
Molecular FormulaC19H18BrCl2N3O
Molecular Weight455.18 g/mol
Exact Mass453.00
IUPAC Name3-bromo-8-[(2,6-dichloro-3-pyrrolidin-1-ylphenyl)methoxy]-2-methylimidazo[1,2-a]pyridine
SMILESCc1nc2c(OCc3c(Cl)ccc(N4CCCC4)c3Cl)cccn2c1Br
InChIInChI=1S/C19H18BrCl2N3O/c1-12-18(20)25-10-4-5-16(19(25)23-12)26-11-13-14(21)6-7-15(17(13)22)24-8-2-3-9-24/h4-7,10H,2-3,8-9,11H2,1H3
InChIKeyRQXGLSZGJAYOLX-UHFFFAOYSA-N
XLogP5.89
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.18
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-[(2,6-dichloro-3-pyrrolidin-1-ylphenyl)methoxy]-2-methylimidazo[1,2-a]pyridine?
The IUPAC name of 3-bromo-8-[(2,6-dichloro-3-pyrrolidin-1-ylphenyl)methoxy]-2-methylimidazo[1,2-a]pyridine (CID 23371756) is 3-bromo-8-[(2,6-dichloro-3-pyrrolidin-1-ylphenyl)methoxy]-2-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-bromo-8-[(2,6-dichloro-3-pyrrolidin-1-ylphenyl)methoxy]-2-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 3-bromo-8-[(2,6-dichloro-3-pyrrolidin-1-ylphenyl)methoxy]-2-methylimidazo[1,2-a]pyridine is Cc1nc2c(OCc3c(Cl)ccc(N4CCCC4)c3Cl)cccn2c1Br.
What is the InChIKey of 3-bromo-8-[(2,6-dichloro-3-pyrrolidin-1-ylphenyl)methoxy]-2-methylimidazo[1,2-a]pyridine?
The InChIKey is RQXGLSZGJAYOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrCl2N3O/c1-12-18(20)25-10-4-5-16(19(25)23-12)26-11-13-14(21)6-7-15(17(13)22)24-8-2-3-9-24/h4-7,10H,2-3,8-9,11H2,1H3.
What are the key properties of 3-bromo-8-[(2,6-dichloro-3-pyrrolidin-1-ylphenyl)methoxy]-2-methylimidazo[1,2-a]pyridine?
3-bromo-8-[(2,6-dichloro-3-pyrrolidin-1-ylphenyl)methoxy]-2-methylimidazo[1,2-a]pyridine has a molecular weight of 455.18 g/mol, XLogP of 5.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-[(2,6-dichloro-3-pyrrolidin-1-ylphenyl)methoxy]-2-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 23371756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).