(1,3-diethyl-4-methyl-2H-imidazol-2-yl)methanol

C9H18N2O — CID 118386603

IUPAC(1,3-diethyl-4-methyl-2H-imidazol-2-yl)methanol
SMILESCCN1C=C(C)N(CC)C1CO
InChIInChI=1S/C9H18N2O/c1-4-10-6-8(3)11(5-2)9(10)7-12/h6,9,12H,4-5,7H2,1-3H3
InChIKeyPOABNDNHJHODCX-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.82
Rot. Bonds3

About (1,3-diethyl-4-methyl-2H-imidazol-2-yl)methanol

(1,3-diethyl-4-methyl-2H-imidazol-2-yl)methanol (PubChem CID 118386603) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (1,3-diethyl-4-methyl-2H-imidazol-2-yl)methanol.

Molecular Properties

Compound Name(1,3-diethyl-4-methyl-2H-imidazol-2-yl)methanol
PubChem CID118386603
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(1,3-diethyl-4-methyl-2H-imidazol-2-yl)methanol
SMILESCCN1C=C(C)N(CC)C1CO
InChIInChI=1S/C9H18N2O/c1-4-10-6-8(3)11(5-2)9(10)7-12/h6,9,12H,4-5,7H2,1-3H3
InChIKeyPOABNDNHJHODCX-UHFFFAOYSA-N
XLogP0.82
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(dimethylamino)-1,3-dimethyl-2H-imidazol-4-yl]methanol
CID 23026367
(1,2,3-trimethyl-2H-imidazol-4-yl)methanol
CID 67521278
2-(3-propyl-2H-imidazol-1-yl)ethanol
CID 68799972
(1,3-diethyl-4-methyl-2H-imidazol-2-yl)methanol;sulfuric acid
CID 118386602
2-(2,3-Dimethyl-2,4-dihydropyrimidin-1-yl)ethanol
CID 151996678
2-[1-(Dimethylamino)prop-1-enyl-(2-hydroxyethyl)amino]ethanol
CID 154429578
(1-tert-butyl-3-methyl-2H-imidazol-4-yl)methanol
CID 156037502
2-(1,2,2,3-Tetramethylimidazol-1-ium-1-yl)ethanol bromide
CID 171406266
2-[1-(Diethylamino)prop-1-enyl-(2-hydroxyethyl)amino]ethanol
CID 173034807
(1-butyl-3-methyl-2H-imidazol-2-yl)methanol
CID 174479045
2-(1-ethyl-3-methyl-2H-imidazol-1-ium-1-yl)ethanol chloride
CID 175194963
2-(2,5-Dimethylidene-3-propan-2-ylimidazolidin-1-yl)ethanol
CID 175616026

Frequently Asked Questions

What is the IUPAC name of (1,3-diethyl-4-methyl-2H-imidazol-2-yl)methanol?
The IUPAC name of (1,3-diethyl-4-methyl-2H-imidazol-2-yl)methanol (CID 118386603) is (1,3-diethyl-4-methyl-2H-imidazol-2-yl)methanol.
What is the SMILES notation for (1,3-diethyl-4-methyl-2H-imidazol-2-yl)methanol?
The canonical SMILES for (1,3-diethyl-4-methyl-2H-imidazol-2-yl)methanol is CCN1C=C(C)N(CC)C1CO.
What is the InChIKey of (1,3-diethyl-4-methyl-2H-imidazol-2-yl)methanol?
The InChIKey is POABNDNHJHODCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-4-10-6-8(3)11(5-2)9(10)7-12/h6,9,12H,4-5,7H2,1-3H3.
What are the key properties of (1,3-diethyl-4-methyl-2H-imidazol-2-yl)methanol?
(1,3-diethyl-4-methyl-2H-imidazol-2-yl)methanol has a molecular weight of 170.26 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-diethyl-4-methyl-2H-imidazol-2-yl)methanol is sourced from PubChem (CID 118386603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).