(5-methyl-4,5-dihydro-1H-imidazol-2-yl)methanol

C5H10N2O — CID 54132864

IUPAC(5-methyl-4,5-dihydro-1H-imidazol-2-yl)methanol
SMILESCC1CN=C(CO)N1
InChIInChI=1S/C5H10N2O/c1-4-2-6-5(3-8)7-4/h4,8H,2-3H2,1H3,(H,6,7)
InChIKeyNVOTXLOBRSVOGI-UHFFFAOYSA-N
MW114.15 g/mol
LogP-0.63
Rot. Bonds1

About (5-methyl-4,5-dihydro-1H-imidazol-2-yl)methanol

(5-methyl-4,5-dihydro-1H-imidazol-2-yl)methanol (PubChem CID 54132864) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is (5-methyl-4,5-dihydro-1H-imidazol-2-yl)methanol.

Molecular Properties

Compound Name(5-methyl-4,5-dihydro-1H-imidazol-2-yl)methanol
PubChem CID54132864
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name(5-methyl-4,5-dihydro-1H-imidazol-2-yl)methanol
SMILESCC1CN=C(CO)N1
InChIInChI=1S/C5H10N2O/c1-4-2-6-5(3-8)7-4/h4,8H,2-3H2,1H3,(H,6,7)
InChIKeyNVOTXLOBRSVOGI-UHFFFAOYSA-N
XLogP-0.63
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-4,5-dihydro-1H-imidazol-2-yl)methanol?
The IUPAC name of (5-methyl-4,5-dihydro-1H-imidazol-2-yl)methanol (CID 54132864) is (5-methyl-4,5-dihydro-1H-imidazol-2-yl)methanol.
What is the SMILES notation for (5-methyl-4,5-dihydro-1H-imidazol-2-yl)methanol?
The canonical SMILES for (5-methyl-4,5-dihydro-1H-imidazol-2-yl)methanol is CC1CN=C(CO)N1.
What is the InChIKey of (5-methyl-4,5-dihydro-1H-imidazol-2-yl)methanol?
The InChIKey is NVOTXLOBRSVOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-4-2-6-5(3-8)7-4/h4,8H,2-3H2,1H3,(H,6,7).
What are the key properties of (5-methyl-4,5-dihydro-1H-imidazol-2-yl)methanol?
(5-methyl-4,5-dihydro-1H-imidazol-2-yl)methanol has a molecular weight of 114.15 g/mol, XLogP of -0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-4,5-dihydro-1H-imidazol-2-yl)methanol is sourced from PubChem (CID 54132864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).