2-[(4-bromophenyl)methyl]-1H-imidazo[1,2-a]pyridin-5-one

C14H11BrN2O — CID 117132839

IUPAC2-[(4-bromophenyl)methyl]-1H-imidazo[1,2-a]pyridin-5-one
SMILESO=c1cccc2[nH]c(Cc3ccc(Br)cc3)cn12
InChIInChI=1S/C14H11BrN2O/c15-11-6-4-10(5-7-11)8-12-9-17-13(16-12)2-1-3-14(17)18/h1-7,9,16H,8H2
InChIKeyMJMUKDSKPHSENX-UHFFFAOYSA-N
MW303.16 g/mol
LogP2.98
Rot. Bonds2

About 2-[(4-bromophenyl)methyl]-1H-imidazo[1,2-a]pyridin-5-one

2-[(4-bromophenyl)methyl]-1H-imidazo[1,2-a]pyridin-5-one (PubChem CID 117132839) has the molecular formula C14H11BrN2O and a molecular weight of 303.16 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-1H-imidazo[1,2-a]pyridin-5-one.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-1H-imidazo[1,2-a]pyridin-5-one
PubChem CID117132839
Molecular FormulaC14H11BrN2O
Molecular Weight303.16 g/mol
Exact Mass302.01
IUPAC Name2-[(4-bromophenyl)methyl]-1H-imidazo[1,2-a]pyridin-5-one
SMILESO=c1cccc2[nH]c(Cc3ccc(Br)cc3)cn12
InChIInChI=1S/C14H11BrN2O/c15-11-6-4-10(5-7-11)8-12-9-17-13(16-12)2-1-3-14(17)18/h1-7,9,16H,8H2
InChIKeyMJMUKDSKPHSENX-UHFFFAOYSA-N
XLogP2.98
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-(trifluoromethyl)phenyl]methyl]-1H-imidazo[1,2-a]pyridin-5-one
CID 117132815
2-(3-bromophenyl)-1H-imidazo[1,2-a]pyridin-5-one
CID 117128163
2-(thian-4-ylmethyl)-1H-imidazo[1,2-a]pyridin-5-one
CID 117131527
[4-[(4-bromophenyl)methyl]phenyl]methanamine
CID 83744886
2-(3-aminophenyl)-1H-imidazo[1,2-a]pyridin-5-one
CID 117128159
2-[(4-bromophenyl)methyl]pyridazin-3-one
CID 55209830
3-bromo-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one
CID 105467310
3-benzyl-7-bromo-2,5-dihydropyrido[4,3-b]indol-1-one
CID 118471134
2-[(4-bromophenyl)methyl]-3H-quinazolin-4-one
CID 137240406
2-morpholin-3-yl-1H-imidazo[1,2-a]pyridin-5-one
CID 105473855
4-[(4-bromophenyl)methyl]-6,6-dimethyl-1,4-diazepan-5-one
CID 115100592
1-[[4-(aminomethyl)phenyl]methyl]-6-bromopyridin-2-one
CID 82147449

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-1H-imidazo[1,2-a]pyridin-5-one?
The IUPAC name of 2-[(4-bromophenyl)methyl]-1H-imidazo[1,2-a]pyridin-5-one (CID 117132839) is 2-[(4-bromophenyl)methyl]-1H-imidazo[1,2-a]pyridin-5-one.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-1H-imidazo[1,2-a]pyridin-5-one?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-1H-imidazo[1,2-a]pyridin-5-one is O=c1cccc2[nH]c(Cc3ccc(Br)cc3)cn12.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-1H-imidazo[1,2-a]pyridin-5-one?
The InChIKey is MJMUKDSKPHSENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O/c15-11-6-4-10(5-7-11)8-12-9-17-13(16-12)2-1-3-14(17)18/h1-7,9,16H,8H2.
What are the key properties of 2-[(4-bromophenyl)methyl]-1H-imidazo[1,2-a]pyridin-5-one?
2-[(4-bromophenyl)methyl]-1H-imidazo[1,2-a]pyridin-5-one has a molecular weight of 303.16 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]-1H-imidazo[1,2-a]pyridin-5-one is sourced from PubChem (CID 117132839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).