(3-methyl-1,2-dihydroimidazol-5-yl)methanediol

C5H10N2O2 — CID 163741485

IUPAC(3-methyl-1,2-dihydroimidazol-5-yl)methanediol
SMILESCN1C=C(C(O)O)NC1
InChIInChI=1S/C5H10N2O2/c1-7-2-4(5(8)9)6-3-7/h2,5-6,8-9H,3H2,1H3
InChIKeyLIDRWEUCQRPMNG-UHFFFAOYSA-N
MW130.15 g/mol
LogP-1.37
Rot. Bonds1

About (3-methyl-1,2-dihydroimidazol-5-yl)methanediol

(3-methyl-1,2-dihydroimidazol-5-yl)methanediol (PubChem CID 163741485) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is (3-methyl-1,2-dihydroimidazol-5-yl)methanediol.

Molecular Properties

Compound Name(3-methyl-1,2-dihydroimidazol-5-yl)methanediol
PubChem CID163741485
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Name(3-methyl-1,2-dihydroimidazol-5-yl)methanediol
SMILESCN1C=C(C(O)O)NC1
InChIInChI=1S/C5H10N2O2/c1-7-2-4(5(8)9)6-3-7/h2,5-6,8-9H,3H2,1H3
InChIKeyLIDRWEUCQRPMNG-UHFFFAOYSA-N
XLogP-1.37
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-dihydroimidazol-5-yl)methanediol?
The IUPAC name of (3-methyl-1,2-dihydroimidazol-5-yl)methanediol (CID 163741485) is (3-methyl-1,2-dihydroimidazol-5-yl)methanediol.
What is the SMILES notation for (3-methyl-1,2-dihydroimidazol-5-yl)methanediol?
The canonical SMILES for (3-methyl-1,2-dihydroimidazol-5-yl)methanediol is CN1C=C(C(O)O)NC1.
What is the InChIKey of (3-methyl-1,2-dihydroimidazol-5-yl)methanediol?
The InChIKey is LIDRWEUCQRPMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2/c1-7-2-4(5(8)9)6-3-7/h2,5-6,8-9H,3H2,1H3.
What are the key properties of (3-methyl-1,2-dihydroimidazol-5-yl)methanediol?
(3-methyl-1,2-dihydroimidazol-5-yl)methanediol has a molecular weight of 130.15 g/mol, XLogP of -1.37, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-dihydroimidazol-5-yl)methanediol is sourced from PubChem (CID 163741485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).