2-[1-(1H-imidazol-2-yl)-3-methoxy-2,2-dimethylpropyl]-1H-imidazole

C12H18N4O — CID 123320815

IUPAC2-[1-(1H-imidazol-2-yl)-3-methoxy-2,2-dimethylpropyl]-1H-imidazole
SMILESCOCC(C)(C)C(c1ncc[nH]1)c1ncc[nH]1
InChIInChI=1S/C12H18N4O/c1-12(2,8-17-3)9(10-13-4-5-14-10)11-15-6-7-16-11/h4-7,9H,8H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyLTYYUKZNTSXZPL-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.94
Rot. Bonds5

About 2-[1-(1H-imidazol-2-yl)-3-methoxy-2,2-dimethylpropyl]-1H-imidazole

2-[1-(1H-imidazol-2-yl)-3-methoxy-2,2-dimethylpropyl]-1H-imidazole (PubChem CID 123320815) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[1-(1H-imidazol-2-yl)-3-methoxy-2,2-dimethylpropyl]-1H-imidazole.

Molecular Properties

Compound Name2-[1-(1H-imidazol-2-yl)-3-methoxy-2,2-dimethylpropyl]-1H-imidazole
PubChem CID123320815
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-[1-(1H-imidazol-2-yl)-3-methoxy-2,2-dimethylpropyl]-1H-imidazole
SMILESCOCC(C)(C)C(c1ncc[nH]1)c1ncc[nH]1
InChIInChI=1S/C12H18N4O/c1-12(2,8-17-3)9(10-13-4-5-14-10)11-15-6-7-16-11/h4-7,9H,8H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyLTYYUKZNTSXZPL-UHFFFAOYSA-N
XLogP1.94
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-imidazol-2-yl)-3-methoxy-2,2-dimethylpropyl]-1H-imidazole?
The IUPAC name of 2-[1-(1H-imidazol-2-yl)-3-methoxy-2,2-dimethylpropyl]-1H-imidazole (CID 123320815) is 2-[1-(1H-imidazol-2-yl)-3-methoxy-2,2-dimethylpropyl]-1H-imidazole.
What is the SMILES notation for 2-[1-(1H-imidazol-2-yl)-3-methoxy-2,2-dimethylpropyl]-1H-imidazole?
The canonical SMILES for 2-[1-(1H-imidazol-2-yl)-3-methoxy-2,2-dimethylpropyl]-1H-imidazole is COCC(C)(C)C(c1ncc[nH]1)c1ncc[nH]1.
What is the InChIKey of 2-[1-(1H-imidazol-2-yl)-3-methoxy-2,2-dimethylpropyl]-1H-imidazole?
The InChIKey is LTYYUKZNTSXZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-12(2,8-17-3)9(10-13-4-5-14-10)11-15-6-7-16-11/h4-7,9H,8H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 2-[1-(1H-imidazol-2-yl)-3-methoxy-2,2-dimethylpropyl]-1H-imidazole?
2-[1-(1H-imidazol-2-yl)-3-methoxy-2,2-dimethylpropyl]-1H-imidazole has a molecular weight of 234.30 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-imidazol-2-yl)-3-methoxy-2,2-dimethylpropyl]-1H-imidazole is sourced from PubChem (CID 123320815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).