2-[methoxy-bis(1-methylimidazol-2-yl)methyl]-1-methylimidazole

C14H18N6O — CID 11423232

IUPAC2-[methoxy-bis(1-methylimidazol-2-yl)methyl]-1-methylimidazole
SMILESCOC(c1nccn1C)(c1nccn1C)c1nccn1C
InChIInChI=1S/C14H18N6O/c1-18-8-5-15-11(18)14(21-4,12-16-6-9-19(12)2)13-17-7-10-20(13)3/h5-10H,1-4H3
InChIKeyMXPHTYRDOGPCCL-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.83
Rot. Bonds4

About 2-[methoxy-bis(1-methylimidazol-2-yl)methyl]-1-methylimidazole

2-[methoxy-bis(1-methylimidazol-2-yl)methyl]-1-methylimidazole (PubChem CID 11423232) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-[methoxy-bis(1-methylimidazol-2-yl)methyl]-1-methylimidazole.

Molecular Properties

Compound Name2-[methoxy-bis(1-methylimidazol-2-yl)methyl]-1-methylimidazole
PubChem CID11423232
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name2-[methoxy-bis(1-methylimidazol-2-yl)methyl]-1-methylimidazole
SMILESCOC(c1nccn1C)(c1nccn1C)c1nccn1C
InChIInChI=1S/C14H18N6O/c1-18-8-5-15-11(18)14(21-4,12-16-6-9-19(12)2)13-17-7-10-20(13)3/h5-10H,1-4H3
InChIKeyMXPHTYRDOGPCCL-UHFFFAOYSA-N
XLogP0.83
TPSA62.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[methoxy-bis(1-methylimidazol-2-yl)methyl]-1-methylimidazole?
The IUPAC name of 2-[methoxy-bis(1-methylimidazol-2-yl)methyl]-1-methylimidazole (CID 11423232) is 2-[methoxy-bis(1-methylimidazol-2-yl)methyl]-1-methylimidazole.
What is the SMILES notation for 2-[methoxy-bis(1-methylimidazol-2-yl)methyl]-1-methylimidazole?
The canonical SMILES for 2-[methoxy-bis(1-methylimidazol-2-yl)methyl]-1-methylimidazole is COC(c1nccn1C)(c1nccn1C)c1nccn1C.
What is the InChIKey of 2-[methoxy-bis(1-methylimidazol-2-yl)methyl]-1-methylimidazole?
The InChIKey is MXPHTYRDOGPCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-18-8-5-15-11(18)14(21-4,12-16-6-9-19(12)2)13-17-7-10-20(13)3/h5-10H,1-4H3.
What are the key properties of 2-[methoxy-bis(1-methylimidazol-2-yl)methyl]-1-methylimidazole?
2-[methoxy-bis(1-methylimidazol-2-yl)methyl]-1-methylimidazole has a molecular weight of 286.34 g/mol, XLogP of 0.83, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methoxy-bis(1-methylimidazol-2-yl)methyl]-1-methylimidazole is sourced from PubChem (CID 11423232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).