6-bromo-2-(furan-2-yl)-3-[(4-methoxy-2-methylphenyl)methyl]-8-methylimidazo[1,2-a]pyridine

C21H19BrN2O2 — CID 51360047

IUPAC6-bromo-2-(furan-2-yl)-3-[(4-methoxy-2-methylphenyl)methyl]-8-methylimidazo[1,2-a]pyridine
SMILESCOc1ccc(Cc2c(-c3ccco3)nc3c(C)cc(Br)cn23)c(C)c1
InChIInChI=1S/C21H19BrN2O2/c1-13-10-17(25-3)7-6-15(13)11-18-20(19-5-4-8-26-19)23-21-14(2)9-16(22)12-24(18)21/h4-10,12H,11H2,1-3H3
InChIKeyBLCOFJCHJYZLFW-UHFFFAOYSA-N
MW411.30 g/mol
LogP5.57
Rot. Bonds4

About 6-bromo-2-(furan-2-yl)-3-[(4-methoxy-2-methylphenyl)methyl]-8-methylimidazo[1,2-a]pyridine

6-bromo-2-(furan-2-yl)-3-[(4-methoxy-2-methylphenyl)methyl]-8-methylimidazo[1,2-a]pyridine (PubChem CID 51360047) has the molecular formula C21H19BrN2O2 and a molecular weight of 411.30 g/mol. Its IUPAC name is 6-bromo-2-(furan-2-yl)-3-[(4-methoxy-2-methylphenyl)methyl]-8-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-2-(furan-2-yl)-3-[(4-methoxy-2-methylphenyl)methyl]-8-methylimidazo[1,2-a]pyridine
PubChem CID51360047
Molecular FormulaC21H19BrN2O2
Molecular Weight411.30 g/mol
Exact Mass410.06
IUPAC Name6-bromo-2-(furan-2-yl)-3-[(4-methoxy-2-methylphenyl)methyl]-8-methylimidazo[1,2-a]pyridine
SMILESCOc1ccc(Cc2c(-c3ccco3)nc3c(C)cc(Br)cn23)c(C)c1
InChIInChI=1S/C21H19BrN2O2/c1-13-10-17(25-3)7-6-15(13)11-18-20(19-5-4-8-26-19)23-21-14(2)9-16(22)12-24(18)21/h4-10,12H,11H2,1-3H3
InChIKeyBLCOFJCHJYZLFW-UHFFFAOYSA-N
XLogP5.57
TPSA39.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.30
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-2-(furan-2-yl)-3,8-dimethylimidazo[1,2-a]pyridine
CID 83170422
6-bromo-2-(furan-2-yl)-8-methylimidazo[1,2-a]pyridin-3-amine
CID 83171050
6-bromo-2-(3,4-dimethoxyphenyl)-3-[(2-methoxyphenyl)methyl]-8-methylimidazo[1,2-a]pyridine
CID 51359984
3-[(4-methoxy-2-methylphenyl)methyl]-2-phenylimidazo[2,1-a]isoquinoline
CID 51359837
[8-bromo-2-(furan-2-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol
CID 93206664
6-bromo-3-[(2-methoxyphenyl)methyl]-8-methyl-2-propylimidazo[1,2-a]pyridine
CID 51359980
3-[(4-methoxy-2-methylphenyl)methyl]-6-methyl-2-phenylimidazo[1,2-a]pyridine
CID 51359385
12-bromo-14-methyl-5-oxa-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene
CID 83170272
4-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylbenzene
CID 15654338
2-(2-bromo-4-methoxyphenyl)furan
CID 168524550
2-bromo-1-(chloromethyl)-4-methoxybenzene
CID 18624207
13-bromo-9,9,15-trimethyl-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene
CID 83168913

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(furan-2-yl)-3-[(4-methoxy-2-methylphenyl)methyl]-8-methylimidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-2-(furan-2-yl)-3-[(4-methoxy-2-methylphenyl)methyl]-8-methylimidazo[1,2-a]pyridine (CID 51360047) is 6-bromo-2-(furan-2-yl)-3-[(4-methoxy-2-methylphenyl)methyl]-8-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-2-(furan-2-yl)-3-[(4-methoxy-2-methylphenyl)methyl]-8-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-2-(furan-2-yl)-3-[(4-methoxy-2-methylphenyl)methyl]-8-methylimidazo[1,2-a]pyridine is COc1ccc(Cc2c(-c3ccco3)nc3c(C)cc(Br)cn23)c(C)c1.
What is the InChIKey of 6-bromo-2-(furan-2-yl)-3-[(4-methoxy-2-methylphenyl)methyl]-8-methylimidazo[1,2-a]pyridine?
The InChIKey is BLCOFJCHJYZLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O2/c1-13-10-17(25-3)7-6-15(13)11-18-20(19-5-4-8-26-19)23-21-14(2)9-16(22)12-24(18)21/h4-10,12H,11H2,1-3H3.
What are the key properties of 6-bromo-2-(furan-2-yl)-3-[(4-methoxy-2-methylphenyl)methyl]-8-methylimidazo[1,2-a]pyridine?
6-bromo-2-(furan-2-yl)-3-[(4-methoxy-2-methylphenyl)methyl]-8-methylimidazo[1,2-a]pyridine has a molecular weight of 411.30 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(furan-2-yl)-3-[(4-methoxy-2-methylphenyl)methyl]-8-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 51360047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).