2-(4-methyl-1,2-dihydroimidazol-3-yl)ethanol

C6H12N2O — CID 86341091

IUPAC2-(4-methyl-1,2-dihydroimidazol-3-yl)ethanol
SMILESCC1=CNCN1CCO
InChIInChI=1S/C6H12N2O/c1-6-4-7-5-8(6)2-3-9/h4,7,9H,2-3,5H2,1H3
InChIKeyJFOLBWFRNWDMRZ-UHFFFAOYSA-N
MW128.17 g/mol
LogP-0.30
Rot. Bonds2

About 2-(4-methyl-1,2-dihydroimidazol-3-yl)ethanol

2-(4-methyl-1,2-dihydroimidazol-3-yl)ethanol (PubChem CID 86341091) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-(4-methyl-1,2-dihydroimidazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(4-methyl-1,2-dihydroimidazol-3-yl)ethanol
PubChem CID86341091
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name2-(4-methyl-1,2-dihydroimidazol-3-yl)ethanol
SMILESCC1=CNCN1CCO
InChIInChI=1S/C6H12N2O/c1-6-4-7-5-8(6)2-3-9/h4,7,9H,2-3,5H2,1H3
InChIKeyJFOLBWFRNWDMRZ-UHFFFAOYSA-N
XLogP-0.30
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1-ethyl-2-sulfanyl-1H-imidazol-5-yl)methanol
CID 22988644
5-(Hydroxymethyl)-1-methyl-1,3-dihydro-2H-imidazole-2-thione
CID 2801430
2,3-dihydro-1H-imidazol-4-ylmethanol
CID 12630193
2-(2-Methyl-1,2-dihydroimidazol-3-yl)ethanol
CID 14671025
5-Hydroxymethyl-1-isopropyl-2-mercaptoimidazole
CID 22938592
(2-mercapto-1-propyl-1H-imidazol-5-yl)methanol
CID 22938703
(1,2,3-trimethyl-2H-imidazol-4-yl)methanol
CID 67521278
(3-Ethyl-1,2-dihydroimidazol-4-yl)methanol
CID 126624535
[3-(2-Methylpropyl)-1,2-dihydroimidazol-4-yl]methanol
CID 129095818
4-(hydroxymethyl)-3-methyl-1H-imidazol-2-one
CID 132118427
(2-amino-1,3-dimethyl-2H-imidazol-4-yl)methanol
CID 141116737
3,5-Dimethyl-1,2-dihydroimidazol-2-ol
CID 163485394

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,2-dihydroimidazol-3-yl)ethanol?
The IUPAC name of 2-(4-methyl-1,2-dihydroimidazol-3-yl)ethanol (CID 86341091) is 2-(4-methyl-1,2-dihydroimidazol-3-yl)ethanol.
What is the SMILES notation for 2-(4-methyl-1,2-dihydroimidazol-3-yl)ethanol?
The canonical SMILES for 2-(4-methyl-1,2-dihydroimidazol-3-yl)ethanol is CC1=CNCN1CCO.
What is the InChIKey of 2-(4-methyl-1,2-dihydroimidazol-3-yl)ethanol?
The InChIKey is JFOLBWFRNWDMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-6-4-7-5-8(6)2-3-9/h4,7,9H,2-3,5H2,1H3.
What are the key properties of 2-(4-methyl-1,2-dihydroimidazol-3-yl)ethanol?
2-(4-methyl-1,2-dihydroimidazol-3-yl)ethanol has a molecular weight of 128.17 g/mol, XLogP of -0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,2-dihydroimidazol-3-yl)ethanol is sourced from PubChem (CID 86341091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).