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

C9H16N2O2 — CID 15338146

IUPAC[2-butyl-4-(hydroxymethyl)-1H-imidazol-5-yl]methanol
SMILESCCCCc1nc(CO)c(CO)[nH]1
InChIInChI=1S/C9H16N2O2/c1-2-3-4-9-10-7(5-12)8(6-13)11-9/h12-13H,2-6H2,1H3,(H,10,11)
InChIKeySWAGJLLDJOHCCS-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.74
Rot. Bonds5

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

[2-butyl-4-(hydroxymethyl)-1H-imidazol-5-yl]methanol (PubChem CID 15338146) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is [2-butyl-4-(hydroxymethyl)-1H-imidazol-5-yl]methanol.

Molecular Properties

Compound Name[2-butyl-4-(hydroxymethyl)-1H-imidazol-5-yl]methanol
PubChem CID15338146
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name[2-butyl-4-(hydroxymethyl)-1H-imidazol-5-yl]methanol
SMILESCCCCc1nc(CO)c(CO)[nH]1
InChIInChI=1S/C9H16N2O2/c1-2-3-4-9-10-7(5-12)8(6-13)11-9/h12-13H,2-6H2,1H3,(H,10,11)
InChIKeySWAGJLLDJOHCCS-UHFFFAOYSA-N
XLogP0.74
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-butyl-4-(hydroxymethyl)-1H-imidazol-5-yl]methanol?
The IUPAC name of [2-butyl-4-(hydroxymethyl)-1H-imidazol-5-yl]methanol (CID 15338146) is [2-butyl-4-(hydroxymethyl)-1H-imidazol-5-yl]methanol.
What is the SMILES notation for [2-butyl-4-(hydroxymethyl)-1H-imidazol-5-yl]methanol?
The canonical SMILES for [2-butyl-4-(hydroxymethyl)-1H-imidazol-5-yl]methanol is CCCCc1nc(CO)c(CO)[nH]1.
What is the InChIKey of [2-butyl-4-(hydroxymethyl)-1H-imidazol-5-yl]methanol?
The InChIKey is SWAGJLLDJOHCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-2-3-4-9-10-7(5-12)8(6-13)11-9/h12-13H,2-6H2,1H3,(H,10,11).
What are the key properties of [2-butyl-4-(hydroxymethyl)-1H-imidazol-5-yl]methanol?
[2-butyl-4-(hydroxymethyl)-1H-imidazol-5-yl]methanol has a molecular weight of 184.24 g/mol, XLogP of 0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-butyl-4-(hydroxymethyl)-1H-imidazol-5-yl]methanol is sourced from PubChem (CID 15338146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).