4-[2-(1-ethylpiperidin-4-yl)-4-phenyl-1H-imidazol-5-yl]pyridine

C21H24N4 — CID 70998364

IUPAC4-[2-(1-ethylpiperidin-4-yl)-4-phenyl-1H-imidazol-5-yl]pyridine
SMILESCCN1CCC(c2nc(-c3ccccc3)c(-c3ccncc3)[nH]2)CC1
InChIInChI=1S/C21H24N4/c1-2-25-14-10-18(11-15-25)21-23-19(16-6-4-3-5-7-16)20(24-21)17-8-12-22-13-9-17/h3-9,12-13,18H,2,10-11,14-15H2,1H3,(H,23,24)
InChIKeyYKQIDNLFHXPWAK-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.34
Rot. Bonds4

About 4-[2-(1-ethylpiperidin-4-yl)-4-phenyl-1H-imidazol-5-yl]pyridine

4-[2-(1-ethylpiperidin-4-yl)-4-phenyl-1H-imidazol-5-yl]pyridine (PubChem CID 70998364) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-[2-(1-ethylpiperidin-4-yl)-4-phenyl-1H-imidazol-5-yl]pyridine.

Molecular Properties

Compound Name4-[2-(1-ethylpiperidin-4-yl)-4-phenyl-1H-imidazol-5-yl]pyridine
PubChem CID70998364
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name4-[2-(1-ethylpiperidin-4-yl)-4-phenyl-1H-imidazol-5-yl]pyridine
SMILESCCN1CCC(c2nc(-c3ccccc3)c(-c3ccncc3)[nH]2)CC1
InChIInChI=1S/C21H24N4/c1-2-25-14-10-18(11-15-25)21-23-19(16-6-4-3-5-7-16)20(24-21)17-8-12-22-13-9-17/h3-9,12-13,18H,2,10-11,14-15H2,1H3,(H,23,24)
InChIKeyYKQIDNLFHXPWAK-UHFFFAOYSA-N
XLogP4.34
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-ethylpiperidin-4-yl)-4-phenyl-1H-imidazol-5-yl]pyridine?
The IUPAC name of 4-[2-(1-ethylpiperidin-4-yl)-4-phenyl-1H-imidazol-5-yl]pyridine (CID 70998364) is 4-[2-(1-ethylpiperidin-4-yl)-4-phenyl-1H-imidazol-5-yl]pyridine.
What is the SMILES notation for 4-[2-(1-ethylpiperidin-4-yl)-4-phenyl-1H-imidazol-5-yl]pyridine?
The canonical SMILES for 4-[2-(1-ethylpiperidin-4-yl)-4-phenyl-1H-imidazol-5-yl]pyridine is CCN1CCC(c2nc(-c3ccccc3)c(-c3ccncc3)[nH]2)CC1.
What is the InChIKey of 4-[2-(1-ethylpiperidin-4-yl)-4-phenyl-1H-imidazol-5-yl]pyridine?
The InChIKey is YKQIDNLFHXPWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-2-25-14-10-18(11-15-25)21-23-19(16-6-4-3-5-7-16)20(24-21)17-8-12-22-13-9-17/h3-9,12-13,18H,2,10-11,14-15H2,1H3,(H,23,24).
What are the key properties of 4-[2-(1-ethylpiperidin-4-yl)-4-phenyl-1H-imidazol-5-yl]pyridine?
4-[2-(1-ethylpiperidin-4-yl)-4-phenyl-1H-imidazol-5-yl]pyridine has a molecular weight of 332.45 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-ethylpiperidin-4-yl)-4-phenyl-1H-imidazol-5-yl]pyridine is sourced from PubChem (CID 70998364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).