2-amino-3,5-dichloro-N-[2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-2-oxoethyl]benzamide

C22H17Cl2N5O2 — CID 54443356

IUPAC2-amino-3,5-dichloro-N-[2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-2-oxoethyl]benzamide
SMILESCc1nc2cnccc2n1-c1ccc(C(=O)CNC(=O)c2cc(Cl)cc(Cl)c2N)cc1
InChIInChI=1S/C22H17Cl2N5O2/c1-12-28-18-10-26-7-6-19(18)29(12)15-4-2-13(3-5-15)20(30)11-27-22(31)16-8-14(23)9-17(24)21(16)25/h2-10H,11,25H2,1H3,(H,27,31)
InChIKeyWPSBHYGEACUWHU-UHFFFAOYSA-N
MW454.32 g/mol
LogP4.23
Rot. Bonds5

About 2-amino-3,5-dichloro-N-[2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-2-oxoethyl]benzamide

2-amino-3,5-dichloro-N-[2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-2-oxoethyl]benzamide (PubChem CID 54443356) has the molecular formula C22H17Cl2N5O2 and a molecular weight of 454.32 g/mol. Its IUPAC name is 2-amino-3,5-dichloro-N-[2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-amino-3,5-dichloro-N-[2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-2-oxoethyl]benzamide
PubChem CID54443356
Molecular FormulaC22H17Cl2N5O2
Molecular Weight454.32 g/mol
Exact Mass453.08
IUPAC Name2-amino-3,5-dichloro-N-[2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-2-oxoethyl]benzamide
SMILESCc1nc2cnccc2n1-c1ccc(C(=O)CNC(=O)c2cc(Cl)cc(Cl)c2N)cc1
InChIInChI=1S/C22H17Cl2N5O2/c1-12-28-18-10-26-7-6-19(18)29(12)15-4-2-13(3-5-15)20(30)11-27-22(31)16-8-14(23)9-17(24)21(16)25/h2-10H,11,25H2,1H3,(H,27,31)
InChIKeyWPSBHYGEACUWHU-UHFFFAOYSA-N
XLogP4.23
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.32
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-3,5-dichloro-N-[2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-2-oxoethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethanone;dihydrochloride
CID 67867992
dimethyl 2-[2-(2-amino-4,5-dichlorophenyl)-1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]propanedioate
CID 10075593
[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]methyl acetate
CID 70185760
3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]propanoic acid
CID 57188942
ethyl (E)-3-hydroxy-3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-2-nitrosoprop-2-enoate
CID 135455657
3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]butanoic acid
CID 67869197
ethyl 5-(2-methylimidazo[4,5-c]pyridin-1-yl)-2,3-dihydro-1H-indene-2-carboxylate
CID 54229802
N'-(2-chlorobenzoyl)-2-methyl-1-phenylbenzimidazole-5-carbohydrazide
CID 55333924
4-(2-chlorophenyl)-5-ethoxycarbonyl-2-methyl-6-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3,4-dihydropyridine-3-carboxylic acid
CID 54280569
N-ethyl-4-(5-fluoro-2-methylbenzimidazol-1-yl)benzamide
CID 58284883
1-(5-fluoro-2-hydroxyphenyl)-3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]prop-2-en-1-one
CID 67946247
2-(4,5-dichloro-2-nitrophenyl)-2-[1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]propanedioic acid
CID 67946272

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,5-dichloro-N-[2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-2-oxoethyl]benzamide?
The IUPAC name of 2-amino-3,5-dichloro-N-[2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-2-oxoethyl]benzamide (CID 54443356) is 2-amino-3,5-dichloro-N-[2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-amino-3,5-dichloro-N-[2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-2-oxoethyl]benzamide?
The canonical SMILES for 2-amino-3,5-dichloro-N-[2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-2-oxoethyl]benzamide is Cc1nc2cnccc2n1-c1ccc(C(=O)CNC(=O)c2cc(Cl)cc(Cl)c2N)cc1.
What is the InChIKey of 2-amino-3,5-dichloro-N-[2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-2-oxoethyl]benzamide?
The InChIKey is WPSBHYGEACUWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N5O2/c1-12-28-18-10-26-7-6-19(18)29(12)15-4-2-13(3-5-15)20(30)11-27-22(31)16-8-14(23)9-17(24)21(16)25/h2-10H,11,25H2,1H3,(H,27,31).
What are the key properties of 2-amino-3,5-dichloro-N-[2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-2-oxoethyl]benzamide?
2-amino-3,5-dichloro-N-[2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-2-oxoethyl]benzamide has a molecular weight of 454.32 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,5-dichloro-N-[2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 54443356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).