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

C15H15BrClN3O — CID 112536197

IUPAC1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(3-chlorophenyl)ethanone
SMILESCn1c(Br)nc2c1CN(C(=O)Cc1cccc(Cl)c1)CC2
InChIInChI=1S/C15H15BrClN3O/c1-19-13-9-20(6-5-12(13)18-15(19)16)14(21)8-10-3-2-4-11(17)7-10/h2-4,7H,5-6,8-9H2,1H3
InChIKeyKZPCSIATWZOJQD-UHFFFAOYSA-N
MW368.66 g/mol
LogP2.96
Rot. Bonds2

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

1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(3-chlorophenyl)ethanone (PubChem CID 112536197) has the molecular formula C15H15BrClN3O and a molecular weight of 368.66 g/mol. Its IUPAC name is 1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(3-chlorophenyl)ethanone.

Molecular Properties

Compound Name1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(3-chlorophenyl)ethanone
PubChem CID112536197
Molecular FormulaC15H15BrClN3O
Molecular Weight368.66 g/mol
Exact Mass367.01
IUPAC Name1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(3-chlorophenyl)ethanone
SMILESCn1c(Br)nc2c1CN(C(=O)Cc1cccc(Cl)c1)CC2
InChIInChI=1S/C15H15BrClN3O/c1-19-13-9-20(6-5-12(13)18-15(19)16)14(21)8-10-3-2-4-11(17)7-10/h2-4,7H,5-6,8-9H2,1H3
InChIKeyKZPCSIATWZOJQD-UHFFFAOYSA-N
XLogP2.96
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.66
LogP ≤ 52.96
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-methoxyphenyl)ethanone
CID 112536196
1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(2-methylphenyl)ethanone
CID 112536199
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
N-[[5-[2-(3-methoxyphenyl)acetyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide
CID 53191009
1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-morpholin-4-ylpropan-1-one
CID 112536171
2-(3-chlorophenyl)-1-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethanone
CID 161050132
(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-(4-fluorophenyl)methanone
CID 112536176
7-[2-(3-chlorophenyl)acetyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 112532721
2-(3-chlorophenyl)-1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone
CID 159128879
2-(3-chlorophenyl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
CID 110712676
(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-(4-ethoxyphenyl)methanone
CID 112536212

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-(3-chlorophenyl)ethanone?
The IUPAC name of 1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(3-chlorophenyl)ethanone (CID 112536197) is 1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(3-chlorophenyl)ethanone.
What is the SMILES notation for 1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(3-chlorophenyl)ethanone?
The canonical SMILES for 1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(3-chlorophenyl)ethanone is Cn1c(Br)nc2c1CN(C(=O)Cc1cccc(Cl)c1)CC2.
What is the InChIKey of 1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(3-chlorophenyl)ethanone?
The InChIKey is KZPCSIATWZOJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN3O/c1-19-13-9-20(6-5-12(13)18-15(19)16)14(21)8-10-3-2-4-11(17)7-10/h2-4,7H,5-6,8-9H2,1H3.
What are the key properties of 1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(3-chlorophenyl)ethanone?
1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(3-chlorophenyl)ethanone has a molecular weight of 368.66 g/mol, XLogP of 2.96, 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-(3-chlorophenyl)ethanone is sourced from PubChem (CID 112536197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).