8-amino-1-benzyl-7-[(4-bromo-2-fluorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one

C22H21BrFN3O — CID 58380568

IUPAC8-amino-1-benzyl-7-[(4-bromo-2-fluorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one
SMILESCc1c(Cc2ccc(Br)cc2F)c(N)c2n(c1=O)CCN2Cc1ccccc1
InChIInChI=1S/C22H21BrFN3O/c1-14-18(11-16-7-8-17(23)12-19(16)24)20(25)21-26(9-10-27(21)22(14)28)13-15-5-3-2-4-6-15/h2-8,12H,9-11,13,25H2,1H3
InChIKeyVRXAVLIWVFXMMR-UHFFFAOYSA-N
MW442.33 g/mol
LogP4.25
Rot. Bonds4

About 8-amino-1-benzyl-7-[(4-bromo-2-fluorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one

8-amino-1-benzyl-7-[(4-bromo-2-fluorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one (PubChem CID 58380568) has the molecular formula C22H21BrFN3O and a molecular weight of 442.33 g/mol. Its IUPAC name is 8-amino-1-benzyl-7-[(4-bromo-2-fluorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one.

Molecular Properties

Compound Name8-amino-1-benzyl-7-[(4-bromo-2-fluorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one
PubChem CID58380568
Molecular FormulaC22H21BrFN3O
Molecular Weight442.33 g/mol
Exact Mass441.09
IUPAC Name8-amino-1-benzyl-7-[(4-bromo-2-fluorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one
SMILESCc1c(Cc2ccc(Br)cc2F)c(N)c2n(c1=O)CCN2Cc1ccccc1
InChIInChI=1S/C22H21BrFN3O/c1-14-18(11-16-7-8-17(23)12-19(16)24)20(25)21-26(9-10-27(21)22(14)28)13-15-5-3-2-4-6-15/h2-8,12H,9-11,13,25H2,1H3
InChIKeyVRXAVLIWVFXMMR-UHFFFAOYSA-N
XLogP4.25
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.33
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-bromo-2-fluorophenyl)methyl]-1,5-dimethyl-6-oxopyridine-3-carboxylic acid
CID 58259958
8-amino-7-(4-bromo-2-fluoroanilino)-6-methyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
CID 70661928
1-benzyl-3-(4-bromophenyl)imidazolidin-2-one
CID 118239025
2-[(4-bromo-2-fluorophenyl)methyl]-3,4-difluoro-6-methoxyaniline
CID 153253372
methyl 2-[(4-bromo-2-fluorophenyl)methyl]-1,5-dimethyl-6-oxopyridine-3-carboxylate
CID 58360839
1-[(4-bromo-2-fluorophenyl)methyl]-3-methylpiperazin-2-one
CID 63606616
1-(4-bromo-2-fluorophenyl)-N-methyl-5-phenylpentan-2-amine
CID 105137092
5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-4-methylpyridin-2-one
CID 79356172
1-benzyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one
CID 165353214
2-[(4-bromo-2-fluorophenyl)methyl]isoindole-1,3-dione
CID 2773365
(5R)-3-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7171098
1-benzyl-4-(4-bromo-2-fluorophenyl)piperazine
CID 130302892

Frequently Asked Questions

What is the IUPAC name of 8-amino-1-benzyl-7-[(4-bromo-2-fluorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one?
The IUPAC name of 8-amino-1-benzyl-7-[(4-bromo-2-fluorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one (CID 58380568) is 8-amino-1-benzyl-7-[(4-bromo-2-fluorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one.
What is the SMILES notation for 8-amino-1-benzyl-7-[(4-bromo-2-fluorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one?
The canonical SMILES for 8-amino-1-benzyl-7-[(4-bromo-2-fluorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one is Cc1c(Cc2ccc(Br)cc2F)c(N)c2n(c1=O)CCN2Cc1ccccc1.
What is the InChIKey of 8-amino-1-benzyl-7-[(4-bromo-2-fluorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one?
The InChIKey is VRXAVLIWVFXMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrFN3O/c1-14-18(11-16-7-8-17(23)12-19(16)24)20(25)21-26(9-10-27(21)22(14)28)13-15-5-3-2-4-6-15/h2-8,12H,9-11,13,25H2,1H3.
What are the key properties of 8-amino-1-benzyl-7-[(4-bromo-2-fluorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one?
8-amino-1-benzyl-7-[(4-bromo-2-fluorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one has a molecular weight of 442.33 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-1-benzyl-7-[(4-bromo-2-fluorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one is sourced from PubChem (CID 58380568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).