(1-methyl-4-prop-1-en-2-ylimidazol-2-yl)methanol

C8H12N2O — CID 123594055

IUPAC(1-methyl-4-prop-1-en-2-ylimidazol-2-yl)methanol
SMILESC=C(C)c1cn(C)c(CO)n1
InChIInChI=1S/C8H12N2O/c1-6(2)7-4-10(3)8(5-11)9-7/h4,11H,1,5H2,2-3H3
InChIKeyVRCXUMYCEJRLLC-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.95
Rot. Bonds2

About (1-methyl-4-prop-1-en-2-ylimidazol-2-yl)methanol

(1-methyl-4-prop-1-en-2-ylimidazol-2-yl)methanol (PubChem CID 123594055) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is (1-methyl-4-prop-1-en-2-ylimidazol-2-yl)methanol.

Molecular Properties

Compound Name(1-methyl-4-prop-1-en-2-ylimidazol-2-yl)methanol
PubChem CID123594055
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name(1-methyl-4-prop-1-en-2-ylimidazol-2-yl)methanol
SMILESC=C(C)c1cn(C)c(CO)n1
InChIInChI=1S/C8H12N2O/c1-6(2)7-4-10(3)8(5-11)9-7/h4,11H,1,5H2,2-3H3
InChIKeyVRCXUMYCEJRLLC-UHFFFAOYSA-N
XLogP0.95
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxy-1-methylimidazol-2-yl)methanol
CID 57005292
2-(ethylaminomethyl)-1-methylimidazole-4-carboxylic acid
CID 117187445
2-(ethylsulfonylmethyl)-1-methylimidazole-4-carboxylic acid
CID 117187211
(4-bromo-1-methylimidazol-2-yl)methanethiol
CID 117187457
ethyl 2-(aminomethyl)-1-methylimidazole-4-carboxylate
CID 117272800
4-[2-(hydroxymethyl)-1-methylimidazol-4-yl]oxy-2,3,6-trimethylphenol
CID 54138538
N-[(4-bromo-1-methylimidazol-2-yl)methyl]ethanamine
CID 117187425
(1-ethyl-4-methylimidazol-2-yl)methanol
CID 117187857
2-[(2-hydroxyphenoxy)methyl]-1-methylimidazole-4-carboxylic acid
CID 117187276
2-[(4-chlorophenoxy)methyl]-1-methylimidazole-4-carboxylic acid
CID 117187383
(4-amino-1-methylpyrrol-2-yl)methanol
CID 12532409
3-methyl-6-prop-1-en-2-ylpyrazin-2-amine
CID 174159333

Frequently Asked Questions

What is the IUPAC name of (1-methyl-4-prop-1-en-2-ylimidazol-2-yl)methanol?
The IUPAC name of (1-methyl-4-prop-1-en-2-ylimidazol-2-yl)methanol (CID 123594055) is (1-methyl-4-prop-1-en-2-ylimidazol-2-yl)methanol.
What is the SMILES notation for (1-methyl-4-prop-1-en-2-ylimidazol-2-yl)methanol?
The canonical SMILES for (1-methyl-4-prop-1-en-2-ylimidazol-2-yl)methanol is C=C(C)c1cn(C)c(CO)n1.
What is the InChIKey of (1-methyl-4-prop-1-en-2-ylimidazol-2-yl)methanol?
The InChIKey is VRCXUMYCEJRLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6(2)7-4-10(3)8(5-11)9-7/h4,11H,1,5H2,2-3H3.
What are the key properties of (1-methyl-4-prop-1-en-2-ylimidazol-2-yl)methanol?
(1-methyl-4-prop-1-en-2-ylimidazol-2-yl)methanol has a molecular weight of 152.20 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-4-prop-1-en-2-ylimidazol-2-yl)methanol is sourced from PubChem (CID 123594055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).