3-[2-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-1H-imidazol-4-yl]pyridine

C17H16ClN3O2 — CID 14211374

IUPAC3-[2-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-1H-imidazol-4-yl]pyridine
SMILESCOc1cc(OC)c(-c2nc(-c3cccnc3)c(C)[nH]2)cc1Cl
InChIInChI=1S/C17H16ClN3O2/c1-10-16(11-5-4-6-19-9-11)21-17(20-10)12-7-13(18)15(23-3)8-14(12)22-2/h4-9H,1-3H3,(H,20,21)
InChIKeyWWYJRJJQHZIWRH-UHFFFAOYSA-N
MW329.79 g/mol
LogP4.12
Rot. Bonds4

About 3-[2-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-1H-imidazol-4-yl]pyridine

3-[2-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-1H-imidazol-4-yl]pyridine (PubChem CID 14211374) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 3-[2-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-1H-imidazol-4-yl]pyridine.

Molecular Properties

Compound Name3-[2-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-1H-imidazol-4-yl]pyridine
PubChem CID14211374
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name3-[2-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-1H-imidazol-4-yl]pyridine
SMILESCOc1cc(OC)c(-c2nc(-c3cccnc3)c(C)[nH]2)cc1Cl
InChIInChI=1S/C17H16ClN3O2/c1-10-16(11-5-4-6-19-9-11)21-17(20-10)12-7-13(18)15(23-3)8-14(12)22-2/h4-9H,1-3H3,(H,20,21)
InChIKeyWWYJRJJQHZIWRH-UHFFFAOYSA-N
XLogP4.12
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-1H-imidazol-4-yl]pyridine?
The IUPAC name of 3-[2-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-1H-imidazol-4-yl]pyridine (CID 14211374) is 3-[2-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-1H-imidazol-4-yl]pyridine.
What is the SMILES notation for 3-[2-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-1H-imidazol-4-yl]pyridine?
The canonical SMILES for 3-[2-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-1H-imidazol-4-yl]pyridine is COc1cc(OC)c(-c2nc(-c3cccnc3)c(C)[nH]2)cc1Cl.
What is the InChIKey of 3-[2-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-1H-imidazol-4-yl]pyridine?
The InChIKey is WWYJRJJQHZIWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-10-16(11-5-4-6-19-9-11)21-17(20-10)12-7-13(18)15(23-3)8-14(12)22-2/h4-9H,1-3H3,(H,20,21).
What are the key properties of 3-[2-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-1H-imidazol-4-yl]pyridine?
3-[2-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-1H-imidazol-4-yl]pyridine has a molecular weight of 329.79 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-1H-imidazol-4-yl]pyridine is sourced from PubChem (CID 14211374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).