2-methoxy-5-[1-(4-methoxycyclohexyl)imidazol-2-yl]pyridine

C16H21N3O2 — CID 165419000

IUPAC2-methoxy-5-[1-(4-methoxycyclohexyl)imidazol-2-yl]pyridine
SMILESCOc1ccc(-c2nccn2C2CCC(OC)CC2)cn1
InChIInChI=1S/C16H21N3O2/c1-20-14-6-4-13(5-7-14)19-10-9-17-16(19)12-3-8-15(21-2)18-11-12/h3,8-11,13-14H,4-7H2,1-2H3
InChIKeyUDMXUCSMLRXFBF-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.08
Rot. Bonds4

About 2-methoxy-5-[1-(4-methoxycyclohexyl)imidazol-2-yl]pyridine

2-methoxy-5-[1-(4-methoxycyclohexyl)imidazol-2-yl]pyridine (PubChem CID 165419000) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-methoxy-5-[1-(4-methoxycyclohexyl)imidazol-2-yl]pyridine.

Molecular Properties

Compound Name2-methoxy-5-[1-(4-methoxycyclohexyl)imidazol-2-yl]pyridine
PubChem CID165419000
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-methoxy-5-[1-(4-methoxycyclohexyl)imidazol-2-yl]pyridine
SMILESCOc1ccc(-c2nccn2C2CCC(OC)CC2)cn1
InChIInChI=1S/C16H21N3O2/c1-20-14-6-4-13(5-7-14)19-10-9-17-16(19)12-3-8-15(21-2)18-11-12/h3,8-11,13-14H,4-7H2,1-2H3
InChIKeyUDMXUCSMLRXFBF-UHFFFAOYSA-N
XLogP3.08
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[1-(4-methoxycyclohexyl)imidazol-2-yl]pyridine?
The IUPAC name of 2-methoxy-5-[1-(4-methoxycyclohexyl)imidazol-2-yl]pyridine (CID 165419000) is 2-methoxy-5-[1-(4-methoxycyclohexyl)imidazol-2-yl]pyridine.
What is the SMILES notation for 2-methoxy-5-[1-(4-methoxycyclohexyl)imidazol-2-yl]pyridine?
The canonical SMILES for 2-methoxy-5-[1-(4-methoxycyclohexyl)imidazol-2-yl]pyridine is COc1ccc(-c2nccn2C2CCC(OC)CC2)cn1.
What is the InChIKey of 2-methoxy-5-[1-(4-methoxycyclohexyl)imidazol-2-yl]pyridine?
The InChIKey is UDMXUCSMLRXFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-20-14-6-4-13(5-7-14)19-10-9-17-16(19)12-3-8-15(21-2)18-11-12/h3,8-11,13-14H,4-7H2,1-2H3.
What are the key properties of 2-methoxy-5-[1-(4-methoxycyclohexyl)imidazol-2-yl]pyridine?
2-methoxy-5-[1-(4-methoxycyclohexyl)imidazol-2-yl]pyridine has a molecular weight of 287.36 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[1-(4-methoxycyclohexyl)imidazol-2-yl]pyridine is sourced from PubChem (CID 165419000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).