1-(1H-imidazol-2-ylmethyl)-2-(propan-2-yloxymethyl)imidazole

C11H16N4O — CID 71048088

IUPAC1-(1H-imidazol-2-ylmethyl)-2-(propan-2-yloxymethyl)imidazole
SMILESCC(C)OCc1nccn1Cc1ncc[nH]1
InChIInChI=1S/C11H16N4O/c1-9(2)16-8-11-14-5-6-15(11)7-10-12-3-4-13-10/h3-6,9H,7-8H2,1-2H3,(H,12,13)
InChIKeyLSYSDUYFENZOLD-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.58
Rot. Bonds5

About 1-(1H-imidazol-2-ylmethyl)-2-(propan-2-yloxymethyl)imidazole

1-(1H-imidazol-2-ylmethyl)-2-(propan-2-yloxymethyl)imidazole (PubChem CID 71048088) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 1-(1H-imidazol-2-ylmethyl)-2-(propan-2-yloxymethyl)imidazole.

Molecular Properties

Compound Name1-(1H-imidazol-2-ylmethyl)-2-(propan-2-yloxymethyl)imidazole
PubChem CID71048088
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name1-(1H-imidazol-2-ylmethyl)-2-(propan-2-yloxymethyl)imidazole
SMILESCC(C)OCc1nccn1Cc1ncc[nH]1
InChIInChI=1S/C11H16N4O/c1-9(2)16-8-11-14-5-6-15(11)7-10-12-3-4-13-10/h3-6,9H,7-8H2,1-2H3,(H,12,13)
InChIKeyLSYSDUYFENZOLD-UHFFFAOYSA-N
XLogP1.58
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethoxymethyl)-1H-imidazole
CID 15043882
2-(Methoxymethyl)-1H-imidazole
CID 15043884
1H-Imidazole, 2-methyl-, reaction products with 1H-imidazole and propylene oxide
CID 172377
4-(1H-imidazol-2-ylmethyl)-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholine
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2-(1H,1'H-[2,2'-biimidazol]-1-yl)ethanol
CID 12998448
(S)-N-((1H-Imidazol-2-yl)methyl)-1-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl)methanamine
CID 75529633
2-(1H-imidazol-2-yl)-4,5-dihydro-1,3-oxazole
CID 57464635
2-(1-methoxyethyl)-3-methyl-1H-imidazol-3-ium
CID 69811396
2-(2-fluoro-1-methoxyethyl)-3-methyl-1H-imidazol-3-ium
CID 91234322
1-Ethyl-2,2'-biimi-dazolyl
CID 12586791
2-[2-[2-(1H-imidazol-2-ylmethoxy)ethoxy]ethoxymethyl]-1H-imidazole
CID 85802725
1-Ethyl-methylimidazolium dicyanide
CID 132427034

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-ylmethyl)-2-(propan-2-yloxymethyl)imidazole?
The IUPAC name of 1-(1H-imidazol-2-ylmethyl)-2-(propan-2-yloxymethyl)imidazole (CID 71048088) is 1-(1H-imidazol-2-ylmethyl)-2-(propan-2-yloxymethyl)imidazole.
What is the SMILES notation for 1-(1H-imidazol-2-ylmethyl)-2-(propan-2-yloxymethyl)imidazole?
The canonical SMILES for 1-(1H-imidazol-2-ylmethyl)-2-(propan-2-yloxymethyl)imidazole is CC(C)OCc1nccn1Cc1ncc[nH]1.
What is the InChIKey of 1-(1H-imidazol-2-ylmethyl)-2-(propan-2-yloxymethyl)imidazole?
The InChIKey is LSYSDUYFENZOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-9(2)16-8-11-14-5-6-15(11)7-10-12-3-4-13-10/h3-6,9H,7-8H2,1-2H3,(H,12,13).
What are the key properties of 1-(1H-imidazol-2-ylmethyl)-2-(propan-2-yloxymethyl)imidazole?
1-(1H-imidazol-2-ylmethyl)-2-(propan-2-yloxymethyl)imidazole has a molecular weight of 220.28 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-ylmethyl)-2-(propan-2-yloxymethyl)imidazole is sourced from PubChem (CID 71048088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).