6-chloro-7-(4-chlorophenyl)-1-pentyl-3H-imidazo[4,5-b]pyridin-2-one

C17H17Cl2N3O — CID 67355313

IUPAC6-chloro-7-(4-chlorophenyl)-1-pentyl-3H-imidazo[4,5-b]pyridin-2-one
SMILESCCCCCn1c(=O)[nH]c2ncc(Cl)c(-c3ccc(Cl)cc3)c21
InChIInChI=1S/C17H17Cl2N3O/c1-2-3-4-9-22-15-14(11-5-7-12(18)8-6-11)13(19)10-20-16(15)21-17(22)23/h5-8,10H,2-4,9H2,1H3,(H,20,21,23)
InChIKeyFAZCMLRAUCLBIY-UHFFFAOYSA-N
MW350.25 g/mol
LogP4.89
Rot. Bonds5

About 6-chloro-7-(4-chlorophenyl)-1-pentyl-3H-imidazo[4,5-b]pyridin-2-one

6-chloro-7-(4-chlorophenyl)-1-pentyl-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 67355313) has the molecular formula C17H17Cl2N3O and a molecular weight of 350.25 g/mol. Its IUPAC name is 6-chloro-7-(4-chlorophenyl)-1-pentyl-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-chloro-7-(4-chlorophenyl)-1-pentyl-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID67355313
Molecular FormulaC17H17Cl2N3O
Molecular Weight350.25 g/mol
Exact Mass349.07
IUPAC Name6-chloro-7-(4-chlorophenyl)-1-pentyl-3H-imidazo[4,5-b]pyridin-2-one
SMILESCCCCCn1c(=O)[nH]c2ncc(Cl)c(-c3ccc(Cl)cc3)c21
InChIInChI=1S/C17H17Cl2N3O/c1-2-3-4-9-22-15-14(11-5-7-12(18)8-6-11)13(19)10-20-16(15)21-17(22)23/h5-8,10H,2-4,9H2,1H3,(H,20,21,23)
InChIKeyFAZCMLRAUCLBIY-UHFFFAOYSA-N
XLogP4.89
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-(4-chlorophenyl)-1-pentyl-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-chloro-7-(4-chlorophenyl)-1-pentyl-3H-imidazo[4,5-b]pyridin-2-one (CID 67355313) is 6-chloro-7-(4-chlorophenyl)-1-pentyl-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-chloro-7-(4-chlorophenyl)-1-pentyl-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-chloro-7-(4-chlorophenyl)-1-pentyl-3H-imidazo[4,5-b]pyridin-2-one is CCCCCn1c(=O)[nH]c2ncc(Cl)c(-c3ccc(Cl)cc3)c21.
What is the InChIKey of 6-chloro-7-(4-chlorophenyl)-1-pentyl-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is FAZCMLRAUCLBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O/c1-2-3-4-9-22-15-14(11-5-7-12(18)8-6-11)13(19)10-20-16(15)21-17(22)23/h5-8,10H,2-4,9H2,1H3,(H,20,21,23).
What are the key properties of 6-chloro-7-(4-chlorophenyl)-1-pentyl-3H-imidazo[4,5-b]pyridin-2-one?
6-chloro-7-(4-chlorophenyl)-1-pentyl-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 350.25 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-(4-chlorophenyl)-1-pentyl-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 67355313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).