(2-amino-3-methyl-1,2-dihydroimidazol-4-yl)methanol

C5H11N3O — CID 86341547

IUPAC(2-amino-3-methyl-1,2-dihydroimidazol-4-yl)methanol
SMILESCN1C(CO)=CNC1N
InChIInChI=1S/C5H11N3O/c1-8-4(3-9)2-7-5(8)6/h2,5,7,9H,3,6H2,1H3
InChIKeyDYQANNIXFBNKCH-UHFFFAOYSA-N
MW129.16 g/mol
LogP-1.40
Rot. Bonds1

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

(2-amino-3-methyl-1,2-dihydroimidazol-4-yl)methanol (PubChem CID 86341547) has the molecular formula C5H11N3O and a molecular weight of 129.16 g/mol. Its IUPAC name is (2-amino-3-methyl-1,2-dihydroimidazol-4-yl)methanol.

Molecular Properties

Compound Name(2-amino-3-methyl-1,2-dihydroimidazol-4-yl)methanol
PubChem CID86341547
Molecular FormulaC5H11N3O
Molecular Weight129.16 g/mol
Exact Mass129.09
IUPAC Name(2-amino-3-methyl-1,2-dihydroimidazol-4-yl)methanol
SMILESCN1C(CO)=CNC1N
InChIInChI=1S/C5H11N3O/c1-8-4(3-9)2-7-5(8)6/h2,5,7,9H,3,6H2,1H3
InChIKeyDYQANNIXFBNKCH-UHFFFAOYSA-N
XLogP-1.40
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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
[3-(3-Ethoxypropyl)-1,2-dihydroimidazol-5-yl]methanol
CID 18673623
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
(Z)-2,3-bis(methylamino)prop-2-en-1-ol
CID 88953890
(Z)-3-amino-2-(methylamino)prop-2-en-1-ol
CID 89206103

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-methyl-1,2-dihydroimidazol-4-yl)methanol?
The IUPAC name of (2-amino-3-methyl-1,2-dihydroimidazol-4-yl)methanol (CID 86341547) is (2-amino-3-methyl-1,2-dihydroimidazol-4-yl)methanol.
What is the SMILES notation for (2-amino-3-methyl-1,2-dihydroimidazol-4-yl)methanol?
The canonical SMILES for (2-amino-3-methyl-1,2-dihydroimidazol-4-yl)methanol is CN1C(CO)=CNC1N.
What is the InChIKey of (2-amino-3-methyl-1,2-dihydroimidazol-4-yl)methanol?
The InChIKey is DYQANNIXFBNKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O/c1-8-4(3-9)2-7-5(8)6/h2,5,7,9H,3,6H2,1H3.
What are the key properties of (2-amino-3-methyl-1,2-dihydroimidazol-4-yl)methanol?
(2-amino-3-methyl-1,2-dihydroimidazol-4-yl)methanol has a molecular weight of 129.16 g/mol, XLogP of -1.40, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-methyl-1,2-dihydroimidazol-4-yl)methanol is sourced from PubChem (CID 86341547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).