(3-ethyl-1,2-dihydroimidazol-4-yl)methanol

C6H12N2O — CID 126624535

IUPAC(3-ethyl-1,2-dihydroimidazol-4-yl)methanol
SMILESCCN1CNC=C1CO
InChIInChI=1S/C6H12N2O/c1-2-8-5-7-3-6(8)4-9/h3,7,9H,2,4-5H2,1H3
InChIKeyJXKIIRLUGZUBIL-UHFFFAOYSA-N
MW128.17 g/mol
LogP-0.30
Rot. Bonds2

About (3-ethyl-1,2-dihydroimidazol-4-yl)methanol

(3-ethyl-1,2-dihydroimidazol-4-yl)methanol (PubChem CID 126624535) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is (3-ethyl-1,2-dihydroimidazol-4-yl)methanol.

Molecular Properties

Compound Name(3-ethyl-1,2-dihydroimidazol-4-yl)methanol
PubChem CID126624535
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name(3-ethyl-1,2-dihydroimidazol-4-yl)methanol
SMILESCCN1CNC=C1CO
InChIInChI=1S/C6H12N2O/c1-2-8-5-7-3-6(8)4-9/h3,7,9H,2,4-5H2,1H3
InChIKeyJXKIIRLUGZUBIL-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
3-ethyl-5-(hydroxymethyl)-1H-imidazole-2-thione
CID 151728307
2,3-dihydro-1H-imidazol-4-ylmethanol
CID 12630193
5-Hydroxymethyl-1-isopropyl-2-mercaptoimidazole
CID 22938592
(2-mercapto-1-propyl-1H-imidazol-5-yl)methanol
CID 22938703
[2-(dimethylamino)-1,3-dimethyl-2H-imidazol-4-yl]methanol
CID 23026367
4-(Hydroxymethyl)-2-mercapto-1-methylimidazole
CID 46839980
(1,2,3-trimethyl-2H-imidazol-4-yl)methanol
CID 67521278
(3-Methyl-2-nitro-1,2-dihydroimidazol-4-yl)methanol
CID 118983485
[3-(2-Methylpropyl)-1,2-dihydroimidazol-4-yl]methanol
CID 129095818
4-(hydroxymethyl)-3-methyl-1H-imidazol-2-one
CID 132118427

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1,2-dihydroimidazol-4-yl)methanol?
The IUPAC name of (3-ethyl-1,2-dihydroimidazol-4-yl)methanol (CID 126624535) is (3-ethyl-1,2-dihydroimidazol-4-yl)methanol.
What is the SMILES notation for (3-ethyl-1,2-dihydroimidazol-4-yl)methanol?
The canonical SMILES for (3-ethyl-1,2-dihydroimidazol-4-yl)methanol is CCN1CNC=C1CO.
What is the InChIKey of (3-ethyl-1,2-dihydroimidazol-4-yl)methanol?
The InChIKey is JXKIIRLUGZUBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-2-8-5-7-3-6(8)4-9/h3,7,9H,2,4-5H2,1H3.
What are the key properties of (3-ethyl-1,2-dihydroimidazol-4-yl)methanol?
(3-ethyl-1,2-dihydroimidazol-4-yl)methanol 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 (3-ethyl-1,2-dihydroimidazol-4-yl)methanol is sourced from PubChem (CID 126624535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).