1-[1-butan-2-yl-4-(hydroxymethyl)imidazol-2-yl]ethanone

C10H16N2O2 — CID 89262306

IUPAC1-[1-butan-2-yl-4-(hydroxymethyl)imidazol-2-yl]ethanone
SMILESCCC(C)n1cc(CO)nc1C(C)=O
InChIInChI=1S/C10H16N2O2/c1-4-7(2)12-5-9(6-13)11-10(12)8(3)14/h5,7,13H,4,6H2,1-3H3
InChIKeyFHXXSDKEWKSSNZ-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.55
Rot. Bonds4

About 1-[1-butan-2-yl-4-(hydroxymethyl)imidazol-2-yl]ethanone

1-[1-butan-2-yl-4-(hydroxymethyl)imidazol-2-yl]ethanone (PubChem CID 89262306) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-[1-butan-2-yl-4-(hydroxymethyl)imidazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-butan-2-yl-4-(hydroxymethyl)imidazol-2-yl]ethanone
PubChem CID89262306
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-[1-butan-2-yl-4-(hydroxymethyl)imidazol-2-yl]ethanone
SMILESCCC(C)n1cc(CO)nc1C(C)=O
InChIInChI=1S/C10H16N2O2/c1-4-7(2)12-5-9(6-13)11-10(12)8(3)14/h5,7,13H,4,6H2,1-3H3
InChIKeyFHXXSDKEWKSSNZ-UHFFFAOYSA-N
XLogP1.55
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-butan-2-yl-4-(hydroxymethyl)imidazol-2-yl]ethanone?
The IUPAC name of 1-[1-butan-2-yl-4-(hydroxymethyl)imidazol-2-yl]ethanone (CID 89262306) is 1-[1-butan-2-yl-4-(hydroxymethyl)imidazol-2-yl]ethanone.
What is the SMILES notation for 1-[1-butan-2-yl-4-(hydroxymethyl)imidazol-2-yl]ethanone?
The canonical SMILES for 1-[1-butan-2-yl-4-(hydroxymethyl)imidazol-2-yl]ethanone is CCC(C)n1cc(CO)nc1C(C)=O.
What is the InChIKey of 1-[1-butan-2-yl-4-(hydroxymethyl)imidazol-2-yl]ethanone?
The InChIKey is FHXXSDKEWKSSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-4-7(2)12-5-9(6-13)11-10(12)8(3)14/h5,7,13H,4,6H2,1-3H3.
What are the key properties of 1-[1-butan-2-yl-4-(hydroxymethyl)imidazol-2-yl]ethanone?
1-[1-butan-2-yl-4-(hydroxymethyl)imidazol-2-yl]ethanone has a molecular weight of 196.25 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-butan-2-yl-4-(hydroxymethyl)imidazol-2-yl]ethanone is sourced from PubChem (CID 89262306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).