7-(2,4-dichlorophenyl)-2-ethyl-3-pentan-3-ylimidazo[4,5-b]pyridine

C19H21Cl2N3 — CID 18001593

IUPAC7-(2,4-dichlorophenyl)-2-ethyl-3-pentan-3-ylimidazo[4,5-b]pyridine
SMILESCCc1nc2c(-c3ccc(Cl)cc3Cl)ccnc2n1C(CC)CC
InChIInChI=1S/C19H21Cl2N3/c1-4-13(5-2)24-17(6-3)23-18-15(9-10-22-19(18)24)14-8-7-12(20)11-16(14)21/h7-11,13H,4-6H2,1-3H3
InChIKeyOBCIACTZSKCORZ-UHFFFAOYSA-N
MW362.30 g/mol
LogP6.33
Rot. Bonds5

About 7-(2,4-dichlorophenyl)-2-ethyl-3-pentan-3-ylimidazo[4,5-b]pyridine

7-(2,4-dichlorophenyl)-2-ethyl-3-pentan-3-ylimidazo[4,5-b]pyridine (PubChem CID 18001593) has the molecular formula C19H21Cl2N3 and a molecular weight of 362.30 g/mol. Its IUPAC name is 7-(2,4-dichlorophenyl)-2-ethyl-3-pentan-3-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name7-(2,4-dichlorophenyl)-2-ethyl-3-pentan-3-ylimidazo[4,5-b]pyridine
PubChem CID18001593
Molecular FormulaC19H21Cl2N3
Molecular Weight362.30 g/mol
Exact Mass361.11
IUPAC Name7-(2,4-dichlorophenyl)-2-ethyl-3-pentan-3-ylimidazo[4,5-b]pyridine
SMILESCCc1nc2c(-c3ccc(Cl)cc3Cl)ccnc2n1C(CC)CC
InChIInChI=1S/C19H21Cl2N3/c1-4-13(5-2)24-17(6-3)23-18-15(9-10-22-19(18)24)14-8-7-12(20)11-16(14)21/h7-11,13H,4-6H2,1-3H3
InChIKeyOBCIACTZSKCORZ-UHFFFAOYSA-N
XLogP6.33
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.30
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(2,4-dichlorophenyl)-2-ethyl-3-pentan-3-ylimidazo[4,5-b]pyridine?
The IUPAC name of 7-(2,4-dichlorophenyl)-2-ethyl-3-pentan-3-ylimidazo[4,5-b]pyridine (CID 18001593) is 7-(2,4-dichlorophenyl)-2-ethyl-3-pentan-3-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 7-(2,4-dichlorophenyl)-2-ethyl-3-pentan-3-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 7-(2,4-dichlorophenyl)-2-ethyl-3-pentan-3-ylimidazo[4,5-b]pyridine is CCc1nc2c(-c3ccc(Cl)cc3Cl)ccnc2n1C(CC)CC.
What is the InChIKey of 7-(2,4-dichlorophenyl)-2-ethyl-3-pentan-3-ylimidazo[4,5-b]pyridine?
The InChIKey is OBCIACTZSKCORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3/c1-4-13(5-2)24-17(6-3)23-18-15(9-10-22-19(18)24)14-8-7-12(20)11-16(14)21/h7-11,13H,4-6H2,1-3H3.
What are the key properties of 7-(2,4-dichlorophenyl)-2-ethyl-3-pentan-3-ylimidazo[4,5-b]pyridine?
7-(2,4-dichlorophenyl)-2-ethyl-3-pentan-3-ylimidazo[4,5-b]pyridine has a molecular weight of 362.30 g/mol, XLogP of 6.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-dichlorophenyl)-2-ethyl-3-pentan-3-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 18001593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).