2-[(3-bromo-2-chlorophenyl)carbamoyl]-1,5,6-trimethyl-4,7-dihydroimidazo[4,5-c]pyridine-6-carboxylic acid

C17H18BrClN4O3 — CID 135148158

IUPAC2-[(3-bromo-2-chlorophenyl)carbamoyl]-1,5,6-trimethyl-4,7-dihydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCN1Cc2nc(C(=O)Nc3cccc(Br)c3Cl)n(C)c2CC1(C)C(=O)O
InChIInChI=1S/C17H18BrClN4O3/c1-17(16(25)26)7-12-11(8-22(17)2)20-14(23(12)3)15(24)21-10-6-4-5-9(18)13(10)19/h4-6H,7-8H2,1-3H3,(H,21,24)(H,25,26)
InChIKeyWSRMMRWRGBIIJB-UHFFFAOYSA-N
MW441.71 g/mol
LogP2.92
Rot. Bonds3

About 2-[(3-bromo-2-chlorophenyl)carbamoyl]-1,5,6-trimethyl-4,7-dihydroimidazo[4,5-c]pyridine-6-carboxylic acid

2-[(3-bromo-2-chlorophenyl)carbamoyl]-1,5,6-trimethyl-4,7-dihydroimidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 135148158) has the molecular formula C17H18BrClN4O3 and a molecular weight of 441.71 g/mol. Its IUPAC name is 2-[(3-bromo-2-chlorophenyl)carbamoyl]-1,5,6-trimethyl-4,7-dihydroimidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-[(3-bromo-2-chlorophenyl)carbamoyl]-1,5,6-trimethyl-4,7-dihydroimidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID135148158
Molecular FormulaC17H18BrClN4O3
Molecular Weight441.71 g/mol
Exact Mass440.03
IUPAC Name2-[(3-bromo-2-chlorophenyl)carbamoyl]-1,5,6-trimethyl-4,7-dihydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCN1Cc2nc(C(=O)Nc3cccc(Br)c3Cl)n(C)c2CC1(C)C(=O)O
InChIInChI=1S/C17H18BrClN4O3/c1-17(16(25)26)7-12-11(8-22(17)2)20-14(23(12)3)15(24)21-10-6-4-5-9(18)13(10)19/h4-6H,7-8H2,1-3H3,(H,21,24)(H,25,26)
InChIKeyWSRMMRWRGBIIJB-UHFFFAOYSA-N
XLogP2.92
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.71
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-[(3-bromo-2-chlorophenyl)carbamoyl]-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxylate
CID 135147886
tert-butyl 2-[[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate
CID 140881929
2-[2-[[3-[2-chloro-3-[(1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl)amino]phenyl]-2-methylphenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]acetic acid
CID 135146602
4-[2-[[2-chloro-3-[2-chloro-3-[[1-methyl-5-(5-methyl-4-oxohexyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]butanoic acid
CID 167379878
N-[2-chloro-3-[2-chloro-3-[[5-(2-cyclohexylethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 175763848
N-[2-chloro-3-[5-[(5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl)amino]-4-methyl-3-pyridinyl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 166666737
4-[[2-[[2-chloro-3-[2-chloro-3-[(1-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl)amino]phenyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]bicyclo[2.2.1]heptane-1-carboxylic acid
CID 135146587
3-[2-[[3-[3-[[5-[2-(1-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-chlorophenyl]-2-chlorophenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2,2-dimethylpropanoic acid
CID 175849108
N-[3-[2-chloro-3-[(1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carbonyl)amino]phenyl]-2-methylphenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 135165143
3-[6-[[3-[2-chloro-3-[(1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl)amino]phenyl]-2-methylphenyl]carbamoyl]-3H-[1,2]oxazolo[4,5-c]pyridin-2-yl]oxetane-3-carboxylic acid
CID 156575529
4-[2-[2-[[3-[3-[[5-[2-(4-carboxy-1-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-chlorophenyl]-2-chloroanilino]-hydroxymethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylic acid
CID 156740559
N-[2-chloro-3-[2-chloro-3-[(5-cyclobutyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl)amino]phenyl]phenyl]-5-(2-cyclohexylethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 175763883

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-2-chlorophenyl)carbamoyl]-1,5,6-trimethyl-4,7-dihydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of 2-[(3-bromo-2-chlorophenyl)carbamoyl]-1,5,6-trimethyl-4,7-dihydroimidazo[4,5-c]pyridine-6-carboxylic acid (CID 135148158) is 2-[(3-bromo-2-chlorophenyl)carbamoyl]-1,5,6-trimethyl-4,7-dihydroimidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-[(3-bromo-2-chlorophenyl)carbamoyl]-1,5,6-trimethyl-4,7-dihydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for 2-[(3-bromo-2-chlorophenyl)carbamoyl]-1,5,6-trimethyl-4,7-dihydroimidazo[4,5-c]pyridine-6-carboxylic acid is CN1Cc2nc(C(=O)Nc3cccc(Br)c3Cl)n(C)c2CC1(C)C(=O)O.
What is the InChIKey of 2-[(3-bromo-2-chlorophenyl)carbamoyl]-1,5,6-trimethyl-4,7-dihydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is WSRMMRWRGBIIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClN4O3/c1-17(16(25)26)7-12-11(8-22(17)2)20-14(23(12)3)15(24)21-10-6-4-5-9(18)13(10)19/h4-6H,7-8H2,1-3H3,(H,21,24)(H,25,26).
What are the key properties of 2-[(3-bromo-2-chlorophenyl)carbamoyl]-1,5,6-trimethyl-4,7-dihydroimidazo[4,5-c]pyridine-6-carboxylic acid?
2-[(3-bromo-2-chlorophenyl)carbamoyl]-1,5,6-trimethyl-4,7-dihydroimidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 441.71 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-2-chlorophenyl)carbamoyl]-1,5,6-trimethyl-4,7-dihydroimidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 135148158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).