2-imidazol-1-yl-1-(3-methoxyphenyl)imidazole

C13H12N4O — CID 69342185

IUPAC2-imidazol-1-yl-1-(3-methoxyphenyl)imidazole
SMILESCOc1cccc(-n2ccnc2-n2ccnc2)c1
InChIInChI=1S/C13H12N4O/c1-18-12-4-2-3-11(9-12)17-8-6-15-13(17)16-7-5-14-10-16/h2-10H,1H3
InChIKeyJQXMIVUDMYDPIE-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.07
Rot. Bonds3

About 2-imidazol-1-yl-1-(3-methoxyphenyl)imidazole

2-imidazol-1-yl-1-(3-methoxyphenyl)imidazole (PubChem CID 69342185) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-(3-methoxyphenyl)imidazole.

Molecular Properties

Compound Name2-imidazol-1-yl-1-(3-methoxyphenyl)imidazole
PubChem CID69342185
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name2-imidazol-1-yl-1-(3-methoxyphenyl)imidazole
SMILESCOc1cccc(-n2ccnc2-n2ccnc2)c1
InChIInChI=1S/C13H12N4O/c1-18-12-4-2-3-11(9-12)17-8-6-15-13(17)16-7-5-14-10-16/h2-10H,1H3
InChIKeyJQXMIVUDMYDPIE-UHFFFAOYSA-N
XLogP2.07
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1-(3-methoxyphenyl)imidazole?
The IUPAC name of 2-imidazol-1-yl-1-(3-methoxyphenyl)imidazole (CID 69342185) is 2-imidazol-1-yl-1-(3-methoxyphenyl)imidazole.
What is the SMILES notation for 2-imidazol-1-yl-1-(3-methoxyphenyl)imidazole?
The canonical SMILES for 2-imidazol-1-yl-1-(3-methoxyphenyl)imidazole is COc1cccc(-n2ccnc2-n2ccnc2)c1.
What is the InChIKey of 2-imidazol-1-yl-1-(3-methoxyphenyl)imidazole?
The InChIKey is JQXMIVUDMYDPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-18-12-4-2-3-11(9-12)17-8-6-15-13(17)16-7-5-14-10-16/h2-10H,1H3.
What are the key properties of 2-imidazol-1-yl-1-(3-methoxyphenyl)imidazole?
2-imidazol-1-yl-1-(3-methoxyphenyl)imidazole has a molecular weight of 240.27 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-1-(3-methoxyphenyl)imidazole is sourced from PubChem (CID 69342185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).