3-[5-(4-chlorophenyl)-1-ethyl-4-pyridin-4-ylimidazol-2-yl]pyridine

C21H17ClN4 — CID 11523357

IUPAC3-[5-(4-chlorophenyl)-1-ethyl-4-pyridin-4-ylimidazol-2-yl]pyridine
SMILESCCn1c(-c2cccnc2)nc(-c2ccncc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C21H17ClN4/c1-2-26-20(16-5-7-18(22)8-6-16)19(15-9-12-23-13-10-15)25-21(26)17-4-3-11-24-14-17/h3-14H,2H2,1H3
InChIKeyPQPWXEMWJDXFEJ-UHFFFAOYSA-N
MW360.85 g/mol
LogP5.35
Rot. Bonds4

About 3-[5-(4-chlorophenyl)-1-ethyl-4-pyridin-4-ylimidazol-2-yl]pyridine

3-[5-(4-chlorophenyl)-1-ethyl-4-pyridin-4-ylimidazol-2-yl]pyridine (PubChem CID 11523357) has the molecular formula C21H17ClN4 and a molecular weight of 360.85 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-1-ethyl-4-pyridin-4-ylimidazol-2-yl]pyridine.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-1-ethyl-4-pyridin-4-ylimidazol-2-yl]pyridine
PubChem CID11523357
Molecular FormulaC21H17ClN4
Molecular Weight360.85 g/mol
Exact Mass360.11
IUPAC Name3-[5-(4-chlorophenyl)-1-ethyl-4-pyridin-4-ylimidazol-2-yl]pyridine
SMILESCCn1c(-c2cccnc2)nc(-c2ccncc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C21H17ClN4/c1-2-26-20(16-5-7-18(22)8-6-16)19(15-9-12-23-13-10-15)25-21(26)17-4-3-11-24-14-17/h3-14H,2H2,1H3
InChIKeyPQPWXEMWJDXFEJ-UHFFFAOYSA-N
XLogP5.35
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.85
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-1-ethyl-4-pyridin-4-ylimidazol-2-yl]pyridine?
The IUPAC name of 3-[5-(4-chlorophenyl)-1-ethyl-4-pyridin-4-ylimidazol-2-yl]pyridine (CID 11523357) is 3-[5-(4-chlorophenyl)-1-ethyl-4-pyridin-4-ylimidazol-2-yl]pyridine.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-1-ethyl-4-pyridin-4-ylimidazol-2-yl]pyridine?
The canonical SMILES for 3-[5-(4-chlorophenyl)-1-ethyl-4-pyridin-4-ylimidazol-2-yl]pyridine is CCn1c(-c2cccnc2)nc(-c2ccncc2)c1-c1ccc(Cl)cc1.
What is the InChIKey of 3-[5-(4-chlorophenyl)-1-ethyl-4-pyridin-4-ylimidazol-2-yl]pyridine?
The InChIKey is PQPWXEMWJDXFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4/c1-2-26-20(16-5-7-18(22)8-6-16)19(15-9-12-23-13-10-15)25-21(26)17-4-3-11-24-14-17/h3-14H,2H2,1H3.
What are the key properties of 3-[5-(4-chlorophenyl)-1-ethyl-4-pyridin-4-ylimidazol-2-yl]pyridine?
3-[5-(4-chlorophenyl)-1-ethyl-4-pyridin-4-ylimidazol-2-yl]pyridine has a molecular weight of 360.85 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)-1-ethyl-4-pyridin-4-ylimidazol-2-yl]pyridine is sourced from PubChem (CID 11523357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).