5-[2-(1H-imidazol-5-yl)imidazol-1-yl]-2-methoxypyridine

C12H11N5O — CID 56913682

IUPAC5-[2-(1H-imidazol-5-yl)imidazol-1-yl]-2-methoxypyridine
SMILESCOc1ccc(-n2ccnc2-c2cnc[nH]2)cn1
InChIInChI=1S/C12H11N5O/c1-18-11-3-2-9(6-15-11)17-5-4-14-12(17)10-7-13-8-16-10/h2-8H,1H3,(H,13,16)
InChIKeyOBCMJKXWEBJBEY-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.67
Rot. Bonds3

About 5-[2-(1H-imidazol-5-yl)imidazol-1-yl]-2-methoxypyridine

5-[2-(1H-imidazol-5-yl)imidazol-1-yl]-2-methoxypyridine (PubChem CID 56913682) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 5-[2-(1H-imidazol-5-yl)imidazol-1-yl]-2-methoxypyridine.

Molecular Properties

Compound Name5-[2-(1H-imidazol-5-yl)imidazol-1-yl]-2-methoxypyridine
PubChem CID56913682
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name5-[2-(1H-imidazol-5-yl)imidazol-1-yl]-2-methoxypyridine
SMILESCOc1ccc(-n2ccnc2-c2cnc[nH]2)cn1
InChIInChI=1S/C12H11N5O/c1-18-11-3-2-9(6-15-11)17-5-4-14-12(17)10-7-13-8-16-10/h2-8H,1H3,(H,13,16)
InChIKeyOBCMJKXWEBJBEY-UHFFFAOYSA-N
XLogP1.67
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1H-imidazol-5-yl)imidazol-1-yl]-2-methoxypyridine?
The IUPAC name of 5-[2-(1H-imidazol-5-yl)imidazol-1-yl]-2-methoxypyridine (CID 56913682) is 5-[2-(1H-imidazol-5-yl)imidazol-1-yl]-2-methoxypyridine.
What is the SMILES notation for 5-[2-(1H-imidazol-5-yl)imidazol-1-yl]-2-methoxypyridine?
The canonical SMILES for 5-[2-(1H-imidazol-5-yl)imidazol-1-yl]-2-methoxypyridine is COc1ccc(-n2ccnc2-c2cnc[nH]2)cn1.
What is the InChIKey of 5-[2-(1H-imidazol-5-yl)imidazol-1-yl]-2-methoxypyridine?
The InChIKey is OBCMJKXWEBJBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-18-11-3-2-9(6-15-11)17-5-4-14-12(17)10-7-13-8-16-10/h2-8H,1H3,(H,13,16).
What are the key properties of 5-[2-(1H-imidazol-5-yl)imidazol-1-yl]-2-methoxypyridine?
5-[2-(1H-imidazol-5-yl)imidazol-1-yl]-2-methoxypyridine has a molecular weight of 241.25 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1H-imidazol-5-yl)imidazol-1-yl]-2-methoxypyridine is sourced from PubChem (CID 56913682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).