1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(2-methylphenyl)ethanone

C16H18BrN3O — CID 112536199

IUPAC1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)N1CCc2nc(Br)n(C)c2C1
InChIInChI=1S/C16H18BrN3O/c1-11-5-3-4-6-12(11)9-15(21)20-8-7-13-14(10-20)19(2)16(17)18-13/h3-6H,7-10H2,1-2H3
InChIKeyQEBJTOMHULDYJN-UHFFFAOYSA-N
MW348.24 g/mol
LogP2.62
Rot. Bonds2

About 1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(2-methylphenyl)ethanone

1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(2-methylphenyl)ethanone (PubChem CID 112536199) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is 1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(2-methylphenyl)ethanone
PubChem CID112536199
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC Name1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)N1CCc2nc(Br)n(C)c2C1
InChIInChI=1S/C16H18BrN3O/c1-11-5-3-4-6-12(11)9-15(21)20-8-7-13-14(10-20)19(2)16(17)18-13/h3-6H,7-10H2,1-2H3
InChIKeyQEBJTOMHULDYJN-UHFFFAOYSA-N
XLogP2.62
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-phenylethanone
CID 112536189
1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(3-chlorophenyl)ethanone
CID 112536197
1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(3-methoxyphenyl)ethanone
CID 112536196
1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-(4-methylpiperazin-1-yl)propan-1-one
CID 112536168
3-(1,3-benzodioxol-5-yl)-1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propan-1-one
CID 112536240
(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-(4-fluorophenyl)methanone
CID 112536176
(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-(4-ethoxyphenyl)methanone
CID 112536212
1-(3-hydrazinyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-2-(2-methylphenyl)ethanone
CID 12582691
1-[4-[2-(2-methylphenyl)acetyl]-1,4-diazepan-1-yl]butan-1-one
CID 110796698
N-[[3-methyl-5-(2-methylbenzoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide
CID 71836360
3-amino-1-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one;hydrochloride
CID 119311717
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(2-methylphenyl)ethanone
CID 80706813

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(2-methylphenyl)ethanone?
The IUPAC name of 1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(2-methylphenyl)ethanone (CID 112536199) is 1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(2-methylphenyl)ethanone.
What is the SMILES notation for 1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(2-methylphenyl)ethanone?
The canonical SMILES for 1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(2-methylphenyl)ethanone is Cc1ccccc1CC(=O)N1CCc2nc(Br)n(C)c2C1.
What is the InChIKey of 1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(2-methylphenyl)ethanone?
The InChIKey is QEBJTOMHULDYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c1-11-5-3-4-6-12(11)9-15(21)20-8-7-13-14(10-20)19(2)16(17)18-13/h3-6H,7-10H2,1-2H3.
What are the key properties of 1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(2-methylphenyl)ethanone?
1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(2-methylphenyl)ethanone has a molecular weight of 348.24 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(2-methylphenyl)ethanone is sourced from PubChem (CID 112536199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).