[3-(3-methylbutyl)-2-(2-methylpropylsulfonyl)imidazol-4-yl]methanol

C13H24N2O3S — CID 42562405

IUPAC[3-(3-methylbutyl)-2-(2-methylpropylsulfonyl)imidazol-4-yl]methanol
SMILESCC(C)CCn1c(CO)cnc1S(=O)(=O)CC(C)C
InChIInChI=1S/C13H24N2O3S/c1-10(2)5-6-15-12(8-16)7-14-13(15)19(17,18)9-11(3)4/h7,10-11,16H,5-6,8-9H2,1-4H3
InChIKeyPTNWKARSBPSAPV-UHFFFAOYSA-N
MW288.41 g/mol
LogP1.85
Rot. Bonds7

About [3-(3-methylbutyl)-2-(2-methylpropylsulfonyl)imidazol-4-yl]methanol

[3-(3-methylbutyl)-2-(2-methylpropylsulfonyl)imidazol-4-yl]methanol (PubChem CID 42562405) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is [3-(3-methylbutyl)-2-(2-methylpropylsulfonyl)imidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(3-methylbutyl)-2-(2-methylpropylsulfonyl)imidazol-4-yl]methanol
PubChem CID42562405
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name[3-(3-methylbutyl)-2-(2-methylpropylsulfonyl)imidazol-4-yl]methanol
SMILESCC(C)CCn1c(CO)cnc1S(=O)(=O)CC(C)C
InChIInChI=1S/C13H24N2O3S/c1-10(2)5-6-15-12(8-16)7-14-13(15)19(17,18)9-11(3)4/h7,10-11,16H,5-6,8-9H2,1-4H3
InChIKeyPTNWKARSBPSAPV-UHFFFAOYSA-N
XLogP1.85
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(3-methylbutyl)-2-(2-methylpropylsulfonyl)imidazol-4-yl]methanol?
The IUPAC name of [3-(3-methylbutyl)-2-(2-methylpropylsulfonyl)imidazol-4-yl]methanol (CID 42562405) is [3-(3-methylbutyl)-2-(2-methylpropylsulfonyl)imidazol-4-yl]methanol.
What is the SMILES notation for [3-(3-methylbutyl)-2-(2-methylpropylsulfonyl)imidazol-4-yl]methanol?
The canonical SMILES for [3-(3-methylbutyl)-2-(2-methylpropylsulfonyl)imidazol-4-yl]methanol is CC(C)CCn1c(CO)cnc1S(=O)(=O)CC(C)C.
What is the InChIKey of [3-(3-methylbutyl)-2-(2-methylpropylsulfonyl)imidazol-4-yl]methanol?
The InChIKey is PTNWKARSBPSAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-10(2)5-6-15-12(8-16)7-14-13(15)19(17,18)9-11(3)4/h7,10-11,16H,5-6,8-9H2,1-4H3.
What are the key properties of [3-(3-methylbutyl)-2-(2-methylpropylsulfonyl)imidazol-4-yl]methanol?
[3-(3-methylbutyl)-2-(2-methylpropylsulfonyl)imidazol-4-yl]methanol has a molecular weight of 288.41 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methylbutyl)-2-(2-methylpropylsulfonyl)imidazol-4-yl]methanol is sourced from PubChem (CID 42562405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).