1,3-bis(hydroxymethyl)-4-methylimidazolidin-2-one

C6H12N2O3 — CID 18458479

IUPAC1,3-bis(hydroxymethyl)-4-methylimidazolidin-2-one
SMILESCC1CN(CO)C(=O)N1CO
InChIInChI=1S/C6H12N2O3/c1-5-2-7(3-9)6(11)8(5)4-10/h5,9-10H,2-4H2,1H3
InChIKeyUBHXVADGCTXVOH-UHFFFAOYSA-N
MW160.17 g/mol
LogP-0.99
Rot. Bonds2

About 1,3-bis(hydroxymethyl)-4-methylimidazolidin-2-one

1,3-bis(hydroxymethyl)-4-methylimidazolidin-2-one (PubChem CID 18458479) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is 1,3-bis(hydroxymethyl)-4-methylimidazolidin-2-one.

Molecular Properties

Compound Name1,3-bis(hydroxymethyl)-4-methylimidazolidin-2-one
PubChem CID18458479
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name1,3-bis(hydroxymethyl)-4-methylimidazolidin-2-one
SMILESCC1CN(CO)C(=O)N1CO
InChIInChI=1S/C6H12N2O3/c1-5-2-7(3-9)6(11)8(5)4-10/h5,9-10H,2-4H2,1H3
InChIKeyUBHXVADGCTXVOH-UHFFFAOYSA-N
XLogP-0.99
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(hydroxymethyl)-4-methylimidazolidin-2-one?
The IUPAC name of 1,3-bis(hydroxymethyl)-4-methylimidazolidin-2-one (CID 18458479) is 1,3-bis(hydroxymethyl)-4-methylimidazolidin-2-one.
What is the SMILES notation for 1,3-bis(hydroxymethyl)-4-methylimidazolidin-2-one?
The canonical SMILES for 1,3-bis(hydroxymethyl)-4-methylimidazolidin-2-one is CC1CN(CO)C(=O)N1CO.
What is the InChIKey of 1,3-bis(hydroxymethyl)-4-methylimidazolidin-2-one?
The InChIKey is UBHXVADGCTXVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3/c1-5-2-7(3-9)6(11)8(5)4-10/h5,9-10H,2-4H2,1H3.
What are the key properties of 1,3-bis(hydroxymethyl)-4-methylimidazolidin-2-one?
1,3-bis(hydroxymethyl)-4-methylimidazolidin-2-one has a molecular weight of 160.17 g/mol, XLogP of -0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(hydroxymethyl)-4-methylimidazolidin-2-one is sourced from PubChem (CID 18458479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).