[2,4-bis(hydroxymethyl)-1H-imidazol-5-yl]methanol

C6H10N2O3 — CID 3703798

IUPAC[2,4-bis(hydroxymethyl)-1H-imidazol-5-yl]methanol
SMILESOCc1nc(CO)c(CO)[nH]1
InChIInChI=1S/C6H10N2O3/c9-1-4-5(2-10)8-6(3-11)7-4/h9-11H,1-3H2,(H,7,8)
InChIKeyIFZPTPZMISZREH-UHFFFAOYSA-N
MW158.16 g/mol
LogP-1.11
Rot. Bonds3

About [2,4-bis(hydroxymethyl)-1H-imidazol-5-yl]methanol

[2,4-bis(hydroxymethyl)-1H-imidazol-5-yl]methanol (PubChem CID 3703798) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is [2,4-bis(hydroxymethyl)-1H-imidazol-5-yl]methanol.

Molecular Properties

Compound Name[2,4-bis(hydroxymethyl)-1H-imidazol-5-yl]methanol
PubChem CID3703798
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name[2,4-bis(hydroxymethyl)-1H-imidazol-5-yl]methanol
SMILESOCc1nc(CO)c(CO)[nH]1
InChIInChI=1S/C6H10N2O3/c9-1-4-5(2-10)8-6(3-11)7-4/h9-11H,1-3H2,(H,7,8)
InChIKeyIFZPTPZMISZREH-UHFFFAOYSA-N
XLogP-1.11
TPSA89.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-1.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2,4-bis(hydroxymethyl)-1H-imidazol-5-yl]methanol?
The IUPAC name of [2,4-bis(hydroxymethyl)-1H-imidazol-5-yl]methanol (CID 3703798) is [2,4-bis(hydroxymethyl)-1H-imidazol-5-yl]methanol.
What is the SMILES notation for [2,4-bis(hydroxymethyl)-1H-imidazol-5-yl]methanol?
The canonical SMILES for [2,4-bis(hydroxymethyl)-1H-imidazol-5-yl]methanol is OCc1nc(CO)c(CO)[nH]1.
What is the InChIKey of [2,4-bis(hydroxymethyl)-1H-imidazol-5-yl]methanol?
The InChIKey is IFZPTPZMISZREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3/c9-1-4-5(2-10)8-6(3-11)7-4/h9-11H,1-3H2,(H,7,8).
What are the key properties of [2,4-bis(hydroxymethyl)-1H-imidazol-5-yl]methanol?
[2,4-bis(hydroxymethyl)-1H-imidazol-5-yl]methanol has a molecular weight of 158.16 g/mol, XLogP of -1.11, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-bis(hydroxymethyl)-1H-imidazol-5-yl]methanol is sourced from PubChem (CID 3703798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).