5-ethyl-2-[1-[3-(1,2,4-triazol-1-yl)-1-adamantyl]imidazol-2-yl]pyridine

C22H26N6 — CID 146046242

IUPAC5-ethyl-2-[1-[3-(1,2,4-triazol-1-yl)-1-adamantyl]imidazol-2-yl]pyridine
SMILESCCc1ccc(-c2nccn2C23CC4CC(CC(n5cncn5)(C4)C2)C3)nc1
InChIInChI=1S/C22H26N6/c1-2-16-3-4-19(25-12-16)20-24-5-6-27(20)21-8-17-7-18(9-21)11-22(10-17,13-21)28-15-23-14-26-28/h3-6,12,14-15,17-18H,2,7-11,13H2,1H3
InChIKeyORKMBTPUXMKROS-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.80
Rot. Bonds4

About 5-ethyl-2-[1-[3-(1,2,4-triazol-1-yl)-1-adamantyl]imidazol-2-yl]pyridine

5-ethyl-2-[1-[3-(1,2,4-triazol-1-yl)-1-adamantyl]imidazol-2-yl]pyridine (PubChem CID 146046242) has the molecular formula C22H26N6 and a molecular weight of 374.49 g/mol. Its IUPAC name is 5-ethyl-2-[1-[3-(1,2,4-triazol-1-yl)-1-adamantyl]imidazol-2-yl]pyridine.

Molecular Properties

Compound Name5-ethyl-2-[1-[3-(1,2,4-triazol-1-yl)-1-adamantyl]imidazol-2-yl]pyridine
PubChem CID146046242
Molecular FormulaC22H26N6
Molecular Weight374.49 g/mol
Exact Mass374.22
IUPAC Name5-ethyl-2-[1-[3-(1,2,4-triazol-1-yl)-1-adamantyl]imidazol-2-yl]pyridine
SMILESCCc1ccc(-c2nccn2C23CC4CC(CC(n5cncn5)(C4)C2)C3)nc1
InChIInChI=1S/C22H26N6/c1-2-16-3-4-19(25-12-16)20-24-5-6-27(20)21-8-17-7-18(9-21)11-22(10-17,13-21)28-15-23-14-26-28/h3-6,12,14-15,17-18H,2,7-11,13H2,1H3
InChIKeyORKMBTPUXMKROS-UHFFFAOYSA-N
XLogP3.80
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[1-[3-(1,2,4-triazol-1-yl)-1-adamantyl]imidazol-2-yl]pyridine?
The IUPAC name of 5-ethyl-2-[1-[3-(1,2,4-triazol-1-yl)-1-adamantyl]imidazol-2-yl]pyridine (CID 146046242) is 5-ethyl-2-[1-[3-(1,2,4-triazol-1-yl)-1-adamantyl]imidazol-2-yl]pyridine.
What is the SMILES notation for 5-ethyl-2-[1-[3-(1,2,4-triazol-1-yl)-1-adamantyl]imidazol-2-yl]pyridine?
The canonical SMILES for 5-ethyl-2-[1-[3-(1,2,4-triazol-1-yl)-1-adamantyl]imidazol-2-yl]pyridine is CCc1ccc(-c2nccn2C23CC4CC(CC(n5cncn5)(C4)C2)C3)nc1.
What is the InChIKey of 5-ethyl-2-[1-[3-(1,2,4-triazol-1-yl)-1-adamantyl]imidazol-2-yl]pyridine?
The InChIKey is ORKMBTPUXMKROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6/c1-2-16-3-4-19(25-12-16)20-24-5-6-27(20)21-8-17-7-18(9-21)11-22(10-17,13-21)28-15-23-14-26-28/h3-6,12,14-15,17-18H,2,7-11,13H2,1H3.
What are the key properties of 5-ethyl-2-[1-[3-(1,2,4-triazol-1-yl)-1-adamantyl]imidazol-2-yl]pyridine?
5-ethyl-2-[1-[3-(1,2,4-triazol-1-yl)-1-adamantyl]imidazol-2-yl]pyridine has a molecular weight of 374.49 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[1-[3-(1,2,4-triazol-1-yl)-1-adamantyl]imidazol-2-yl]pyridine is sourced from PubChem (CID 146046242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).