(1,4-dimethyl-4,5-dihydroimidazol-2-yl)methanol

C6H12N2O — CID 23467304

IUPAC(1,4-dimethyl-4,5-dihydroimidazol-2-yl)methanol
SMILESCC1CN(C)C(CO)=N1
InChIInChI=1S/C6H12N2O/c1-5-3-8(2)6(4-9)7-5/h5,9H,3-4H2,1-2H3
InChIKeyTYXRVXHRRCMZIJ-UHFFFAOYSA-N
MW128.17 g/mol
LogP-0.29
Rot. Bonds1

About (1,4-dimethyl-4,5-dihydroimidazol-2-yl)methanol

(1,4-dimethyl-4,5-dihydroimidazol-2-yl)methanol (PubChem CID 23467304) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is (1,4-dimethyl-4,5-dihydroimidazol-2-yl)methanol.

Molecular Properties

Compound Name(1,4-dimethyl-4,5-dihydroimidazol-2-yl)methanol
PubChem CID23467304
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name(1,4-dimethyl-4,5-dihydroimidazol-2-yl)methanol
SMILESCC1CN(C)C(CO)=N1
InChIInChI=1S/C6H12N2O/c1-5-3-8(2)6(4-9)7-5/h5,9H,3-4H2,1-2H3
InChIKeyTYXRVXHRRCMZIJ-UHFFFAOYSA-N
XLogP-0.29
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,4-dimethyl-4,5-dihydroimidazol-2-yl)methanol?
The IUPAC name of (1,4-dimethyl-4,5-dihydroimidazol-2-yl)methanol (CID 23467304) is (1,4-dimethyl-4,5-dihydroimidazol-2-yl)methanol.
What is the SMILES notation for (1,4-dimethyl-4,5-dihydroimidazol-2-yl)methanol?
The canonical SMILES for (1,4-dimethyl-4,5-dihydroimidazol-2-yl)methanol is CC1CN(C)C(CO)=N1.
What is the InChIKey of (1,4-dimethyl-4,5-dihydroimidazol-2-yl)methanol?
The InChIKey is TYXRVXHRRCMZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-5-3-8(2)6(4-9)7-5/h5,9H,3-4H2,1-2H3.
What are the key properties of (1,4-dimethyl-4,5-dihydroimidazol-2-yl)methanol?
(1,4-dimethyl-4,5-dihydroimidazol-2-yl)methanol has a molecular weight of 128.17 g/mol, XLogP of -0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dimethyl-4,5-dihydroimidazol-2-yl)methanol is sourced from PubChem (CID 23467304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).