1-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydroimidazo[1,2-a]pyridin-4-ium bromide

C15H19BrN2O — CID 67192205

IUPAC1-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydroimidazo[1,2-a]pyridin-4-ium bromide
SMILESCOc1ccc(CN2CC[NH+]3CC=CC=C23)cc1.[Br-]
InChIInChI=1S/C15H18N2O.BrH/c1-18-14-7-5-13(6-8-14)12-17-11-10-16-9-3-2-4-15(16)17;/h2-8H,9-12H2,1H3;1H
InChIKeyIOGMEFVSBOPSGT-UHFFFAOYSA-N
MW323.23 g/mol
LogP-2.19
Rot. Bonds3

About 1-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydroimidazo[1,2-a]pyridin-4-ium bromide

1-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydroimidazo[1,2-a]pyridin-4-ium bromide (PubChem CID 67192205) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydroimidazo[1,2-a]pyridin-4-ium bromide.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydroimidazo[1,2-a]pyridin-4-ium bromide
PubChem CID67192205
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name1-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydroimidazo[1,2-a]pyridin-4-ium bromide
SMILESCOc1ccc(CN2CC[NH+]3CC=CC=C23)cc1.[Br-]
InChIInChI=1S/C15H18N2O.BrH/c1-18-14-7-5-13(6-8-14)12-17-11-10-16-9-3-2-4-15(16)17;/h2-8H,9-12H2,1H3;1H
InChIKeyIOGMEFVSBOPSGT-UHFFFAOYSA-N
XLogP-2.19
TPSA16.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 5-2.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-but-3-enyl-1-[(4-methoxyphenyl)methyl]-2H-pyridine
CID 175998832
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CID 66887441
[1-[(4-methoxyphenyl)methyl]-3-methyl-2-oxopyrrolidin-3-yl] carbamate
CID 175141193
(3S)-3-[(1R)-1-hydroxyethyl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one
CID 54758410
3-fluoro-1-[(4-methoxyphenyl)methyl]-2,5-dihydropyridin-6-one
CID 132544265
3,10,17,24-tetrakis[(4-methoxyphenyl)methyl]-3,10,17,24-tetrazapentacyclo[24.2.2.25,8.212,15.219,22]hexatriaconta-1(29),5,7,12,14,19(32),20,22(31),26(30),27,33,35-dodecaene-2,9,16,23-tetrone
CID 132575390
1-[(4-methoxyphenyl)methyl]-4-methylidenepiperidine
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CID 95730261
1,4-bis[(4-methoxyphenyl)methyl]-3-methylidenepiperazine-2,5-dione
CID 91314471
1-[(4-methoxyphenyl)methyl]-4-(5-methoxypyrimidin-2-yl)piperazin-2-one
CID 70726206
6-bromo-4-[(4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazine
CID 68788129
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CID 114335986

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydroimidazo[1,2-a]pyridin-4-ium bromide?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydroimidazo[1,2-a]pyridin-4-ium bromide (CID 67192205) is 1-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydroimidazo[1,2-a]pyridin-4-ium bromide.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydroimidazo[1,2-a]pyridin-4-ium bromide?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydroimidazo[1,2-a]pyridin-4-ium bromide is COc1ccc(CN2CC[NH+]3CC=CC=C23)cc1.[Br-].
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydroimidazo[1,2-a]pyridin-4-ium bromide?
The InChIKey is IOGMEFVSBOPSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O.BrH/c1-18-14-7-5-13(6-8-14)12-17-11-10-16-9-3-2-4-15(16)17;/h2-8H,9-12H2,1H3;1H.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydroimidazo[1,2-a]pyridin-4-ium bromide?
1-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydroimidazo[1,2-a]pyridin-4-ium bromide has a molecular weight of 323.23 g/mol, XLogP of -2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydroimidazo[1,2-a]pyridin-4-ium bromide is sourced from PubChem (CID 67192205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).