1-propan-2-yl-4-(propan-2-yloxymethyl)imidazole

C10H18N2O — CID 117192045

IUPAC1-propan-2-yl-4-(propan-2-yloxymethyl)imidazole
SMILESCC(C)OCc1cn(C(C)C)cn1
InChIInChI=1S/C10H18N2O/c1-8(2)12-5-10(11-7-12)6-13-9(3)4/h5,7-9H,6H2,1-4H3
InChIKeyYRXTZBVIZLFTRU-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.39
Rot. Bonds4

About 1-propan-2-yl-4-(propan-2-yloxymethyl)imidazole

1-propan-2-yl-4-(propan-2-yloxymethyl)imidazole (PubChem CID 117192045) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-propan-2-yl-4-(propan-2-yloxymethyl)imidazole.

Molecular Properties

Compound Name1-propan-2-yl-4-(propan-2-yloxymethyl)imidazole
PubChem CID117192045
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-propan-2-yl-4-(propan-2-yloxymethyl)imidazole
SMILESCC(C)OCc1cn(C(C)C)cn1
InChIInChI=1S/C10H18N2O/c1-8(2)12-5-10(11-7-12)6-13-9(3)4/h5,7-9H,6H2,1-4H3
InChIKeyYRXTZBVIZLFTRU-UHFFFAOYSA-N
XLogP2.39
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-(propan-2-yloxymethyl)imidazole?
The IUPAC name of 1-propan-2-yl-4-(propan-2-yloxymethyl)imidazole (CID 117192045) is 1-propan-2-yl-4-(propan-2-yloxymethyl)imidazole.
What is the SMILES notation for 1-propan-2-yl-4-(propan-2-yloxymethyl)imidazole?
The canonical SMILES for 1-propan-2-yl-4-(propan-2-yloxymethyl)imidazole is CC(C)OCc1cn(C(C)C)cn1.
What is the InChIKey of 1-propan-2-yl-4-(propan-2-yloxymethyl)imidazole?
The InChIKey is YRXTZBVIZLFTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8(2)12-5-10(11-7-12)6-13-9(3)4/h5,7-9H,6H2,1-4H3.
What are the key properties of 1-propan-2-yl-4-(propan-2-yloxymethyl)imidazole?
1-propan-2-yl-4-(propan-2-yloxymethyl)imidazole has a molecular weight of 182.27 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-(propan-2-yloxymethyl)imidazole is sourced from PubChem (CID 117192045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).