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

C6H12N2O — CID 73012119

IUPAC(2,5-dimethyl-4,5-dihydro-1H-imidazol-4-yl)methanol
SMILESCC1=NC(CO)C(C)N1
InChIInChI=1S/C6H12N2O/c1-4-6(3-9)8-5(2)7-4/h4,6,9H,3H2,1-2H3,(H,7,8)
InChIKeyQDGDOLDVTCZIDJ-UHFFFAOYSA-N
MW128.17 g/mol
LogP-0.24
Rot. Bonds1

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

(2,5-dimethyl-4,5-dihydro-1H-imidazol-4-yl)methanol (PubChem CID 73012119) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is (2,5-dimethyl-4,5-dihydro-1H-imidazol-4-yl)methanol.

Molecular Properties

Compound Name(2,5-dimethyl-4,5-dihydro-1H-imidazol-4-yl)methanol
PubChem CID73012119
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name(2,5-dimethyl-4,5-dihydro-1H-imidazol-4-yl)methanol
SMILESCC1=NC(CO)C(C)N1
InChIInChI=1S/C6H12N2O/c1-4-6(3-9)8-5(2)7-4/h4,6,9H,3H2,1-2H3,(H,7,8)
InChIKeyQDGDOLDVTCZIDJ-UHFFFAOYSA-N
XLogP-0.24
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-4,5-dihydro-1H-imidazol-4-yl)methanol?
The IUPAC name of (2,5-dimethyl-4,5-dihydro-1H-imidazol-4-yl)methanol (CID 73012119) is (2,5-dimethyl-4,5-dihydro-1H-imidazol-4-yl)methanol.
What is the SMILES notation for (2,5-dimethyl-4,5-dihydro-1H-imidazol-4-yl)methanol?
The canonical SMILES for (2,5-dimethyl-4,5-dihydro-1H-imidazol-4-yl)methanol is CC1=NC(CO)C(C)N1.
What is the InChIKey of (2,5-dimethyl-4,5-dihydro-1H-imidazol-4-yl)methanol?
The InChIKey is QDGDOLDVTCZIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-4-6(3-9)8-5(2)7-4/h4,6,9H,3H2,1-2H3,(H,7,8).
What are the key properties of (2,5-dimethyl-4,5-dihydro-1H-imidazol-4-yl)methanol?
(2,5-dimethyl-4,5-dihydro-1H-imidazol-4-yl)methanol has a molecular weight of 128.17 g/mol, XLogP of -0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-4,5-dihydro-1H-imidazol-4-yl)methanol is sourced from PubChem (CID 73012119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).