2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazole

C10H18N2O — CID 112687525

IUPAC2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazole
SMILESCc1nccn1CCOC(C)(C)C
InChIInChI=1S/C10H18N2O/c1-9-11-5-6-12(9)7-8-13-10(2,3)4/h5-6H,7-8H2,1-4H3
InChIKeyOAUPYGOJTBQJCN-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.01
Rot. Bonds3

About 2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazole

2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazole (PubChem CID 112687525) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazole.

Molecular Properties

Compound Name2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazole
PubChem CID112687525
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazole
SMILESCc1nccn1CCOC(C)(C)C
InChIInChI=1S/C10H18N2O/c1-9-11-5-6-12(9)7-8-13-10(2,3)4/h5-6H,7-8H2,1-4H3
InChIKeyOAUPYGOJTBQJCN-UHFFFAOYSA-N
XLogP2.01
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazole?
The IUPAC name of 2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazole (CID 112687525) is 2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazole.
What is the SMILES notation for 2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazole?
The canonical SMILES for 2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazole is Cc1nccn1CCOC(C)(C)C.
What is the InChIKey of 2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazole?
The InChIKey is OAUPYGOJTBQJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-9-11-5-6-12(9)7-8-13-10(2,3)4/h5-6H,7-8H2,1-4H3.
What are the key properties of 2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazole?
2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazole has a molecular weight of 182.27 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazole is sourced from PubChem (CID 112687525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).