2-(5-benzyl-4-methylimidazol-1-yl)ethanol;ethane

C15H22N2O — CID 90714959

IUPAC2-(5-benzyl-4-methylimidazol-1-yl)ethanol;ethane
SMILESCC.Cc1ncn(CCO)c1Cc1ccccc1
InChIInChI=1S/C13H16N2O.C2H6/c1-11-13(15(7-8-16)10-14-11)9-12-5-3-2-4-6-12;1-2/h2-6,10,16H,7-9H2,1H3;1-2H3
InChIKeyLGCSBXTXBGUQJW-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.80
Rot. Bonds4

About 2-(5-benzyl-4-methylimidazol-1-yl)ethanol;ethane

2-(5-benzyl-4-methylimidazol-1-yl)ethanol;ethane (PubChem CID 90714959) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(5-benzyl-4-methylimidazol-1-yl)ethanol;ethane.

Molecular Properties

Compound Name2-(5-benzyl-4-methylimidazol-1-yl)ethanol;ethane
PubChem CID90714959
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(5-benzyl-4-methylimidazol-1-yl)ethanol;ethane
SMILESCC.Cc1ncn(CCO)c1Cc1ccccc1
InChIInChI=1S/C13H16N2O.C2H6/c1-11-13(15(7-8-16)10-14-11)9-12-5-3-2-4-6-12;1-2/h2-6,10,16H,7-9H2,1H3;1-2H3
InChIKeyLGCSBXTXBGUQJW-UHFFFAOYSA-N
XLogP2.80
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-amino-3-benzylpyrazol-1-yl)ethanol
CID 82078985
1-(3-chloropropyl)-4-methyl-5-phenylimidazole
CID 10059954
5-benzyl-1,4-dimethylpyrazole
CID 126758584
4-(4,5-dimethylimidazol-1-yl)-2-(methylamino)-2-phenylbutan-1-ol
CID 116695327
3-benzyl-5-bromo-6-methylpyrimidin-4-one
CID 66308961
1,4-dibenzylbenzene;ethane
CID 91406396
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654
2-[3-[(2-fluorophenyl)methyl]-5-methylimidazol-4-yl]acetic acid
CID 82480142
2-(4-methyl-5-phenyltriazol-1-yl)ethanol
CID 18726601
2-[5-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-4-phenylimidazol-1-yl]ethanol
CID 50953740
3-benzyl-1,5-dimethylpyrazole
CID 13225476
2-(3-benzylpyrrol-1-yl)ethanol
CID 132581157

Frequently Asked Questions

What is the IUPAC name of 2-(5-benzyl-4-methylimidazol-1-yl)ethanol;ethane?
The IUPAC name of 2-(5-benzyl-4-methylimidazol-1-yl)ethanol;ethane (CID 90714959) is 2-(5-benzyl-4-methylimidazol-1-yl)ethanol;ethane.
What is the SMILES notation for 2-(5-benzyl-4-methylimidazol-1-yl)ethanol;ethane?
The canonical SMILES for 2-(5-benzyl-4-methylimidazol-1-yl)ethanol;ethane is CC.Cc1ncn(CCO)c1Cc1ccccc1.
What is the InChIKey of 2-(5-benzyl-4-methylimidazol-1-yl)ethanol;ethane?
The InChIKey is LGCSBXTXBGUQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O.C2H6/c1-11-13(15(7-8-16)10-14-11)9-12-5-3-2-4-6-12;1-2/h2-6,10,16H,7-9H2,1H3;1-2H3.
What are the key properties of 2-(5-benzyl-4-methylimidazol-1-yl)ethanol;ethane?
2-(5-benzyl-4-methylimidazol-1-yl)ethanol;ethane has a molecular weight of 246.35 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-benzyl-4-methylimidazol-1-yl)ethanol;ethane is sourced from PubChem (CID 90714959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).