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

C15H18ClN3O — CID 165419504

IUPAC5-chloro-2-[1-(4-methoxycyclohexyl)imidazol-2-yl]pyridine
SMILESCOC1CCC(n2ccnc2-c2ccc(Cl)cn2)CC1
InChIInChI=1S/C15H18ClN3O/c1-20-13-5-3-12(4-6-13)19-9-8-17-15(19)14-7-2-11(16)10-18-14/h2,7-10,12-13H,3-6H2,1H3
InChIKeyDUFFGSLRBXYTRI-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.73
Rot. Bonds3

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

5-chloro-2-[1-(4-methoxycyclohexyl)imidazol-2-yl]pyridine (PubChem CID 165419504) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 5-chloro-2-[1-(4-methoxycyclohexyl)imidazol-2-yl]pyridine.

Molecular Properties

Compound Name5-chloro-2-[1-(4-methoxycyclohexyl)imidazol-2-yl]pyridine
PubChem CID165419504
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name5-chloro-2-[1-(4-methoxycyclohexyl)imidazol-2-yl]pyridine
SMILESCOC1CCC(n2ccnc2-c2ccc(Cl)cn2)CC1
InChIInChI=1S/C15H18ClN3O/c1-20-13-5-3-12(4-6-13)19-9-8-17-15(19)14-7-2-11(16)10-18-14/h2,7-10,12-13H,3-6H2,1H3
InChIKeyDUFFGSLRBXYTRI-UHFFFAOYSA-N
XLogP3.73
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[1-(4-methoxycyclohexyl)imidazol-2-yl]pyridine?
The IUPAC name of 5-chloro-2-[1-(4-methoxycyclohexyl)imidazol-2-yl]pyridine (CID 165419504) is 5-chloro-2-[1-(4-methoxycyclohexyl)imidazol-2-yl]pyridine.
What is the SMILES notation for 5-chloro-2-[1-(4-methoxycyclohexyl)imidazol-2-yl]pyridine?
The canonical SMILES for 5-chloro-2-[1-(4-methoxycyclohexyl)imidazol-2-yl]pyridine is COC1CCC(n2ccnc2-c2ccc(Cl)cn2)CC1.
What is the InChIKey of 5-chloro-2-[1-(4-methoxycyclohexyl)imidazol-2-yl]pyridine?
The InChIKey is DUFFGSLRBXYTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-20-13-5-3-12(4-6-13)19-9-8-17-15(19)14-7-2-11(16)10-18-14/h2,7-10,12-13H,3-6H2,1H3.
What are the key properties of 5-chloro-2-[1-(4-methoxycyclohexyl)imidazol-2-yl]pyridine?
5-chloro-2-[1-(4-methoxycyclohexyl)imidazol-2-yl]pyridine has a molecular weight of 291.78 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[1-(4-methoxycyclohexyl)imidazol-2-yl]pyridine is sourced from PubChem (CID 165419504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).