(3-ethyl-2-methylimidazol-4-yl)methanol

C7H12N2O — CID 117193179

IUPAC(3-ethyl-2-methylimidazol-4-yl)methanol
SMILESCCn1c(CO)cnc1C
InChIInChI=1S/C7H12N2O/c1-3-9-6(2)8-4-7(9)5-10/h4,10H,3,5H2,1-2H3
InChIKeySHYUBEYWWSUDDR-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.70
Rot. Bonds2

About (3-ethyl-2-methylimidazol-4-yl)methanol

(3-ethyl-2-methylimidazol-4-yl)methanol (PubChem CID 117193179) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (3-ethyl-2-methylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(3-ethyl-2-methylimidazol-4-yl)methanol
PubChem CID117193179
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(3-ethyl-2-methylimidazol-4-yl)methanol
SMILESCCn1c(CO)cnc1C
InChIInChI=1S/C7H12N2O/c1-3-9-6(2)8-4-7(9)5-10/h4,10H,3,5H2,1-2H3
InChIKeySHYUBEYWWSUDDR-UHFFFAOYSA-N
XLogP0.70
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(chloromethyl)-1-ethyl-2-methylimidazole
CID 130118504
2-(3-ethyl-2-methylimidazol-4-yl)acetic acid
CID 55254160
1-(3-ethyl-2-methylimidazol-4-yl)-N,N-dimethylmethanamine
CID 117192906
1-ethyl-5-(methoxymethyl)-2-methylimidazole
CID 117193127
1-ethyl-2-methyl-5-(propan-2-yloxymethyl)imidazole
CID 117193131
1-ethyl-2-methyl-5-(propan-2-ylsulfanylmethyl)imidazole
CID 117193132
1-ethyl-2-methyl-5-(propan-2-ylsulfonylmethyl)imidazole
CID 117192971
4-[[5-(hydroxymethyl)-2-methylimidazol-1-yl]methyl]benzoic acid;molecular iodine
CID 158935593
(3-cyclopropyl-2-methylimidazol-4-yl)methanol
CID 164886218
2-(2-bromo-3-ethylimidazol-4-yl)ethanol
CID 117259977
1-ethyl-2-methyl-6-oxopyrimidine-5-carbaldehyde
CID 83873436
(2-methylsulfonyl-3-propylimidazol-4-yl)methanol
CID 46318665

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-2-methylimidazol-4-yl)methanol?
The IUPAC name of (3-ethyl-2-methylimidazol-4-yl)methanol (CID 117193179) is (3-ethyl-2-methylimidazol-4-yl)methanol.
What is the SMILES notation for (3-ethyl-2-methylimidazol-4-yl)methanol?
The canonical SMILES for (3-ethyl-2-methylimidazol-4-yl)methanol is CCn1c(CO)cnc1C.
What is the InChIKey of (3-ethyl-2-methylimidazol-4-yl)methanol?
The InChIKey is SHYUBEYWWSUDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-3-9-6(2)8-4-7(9)5-10/h4,10H,3,5H2,1-2H3.
What are the key properties of (3-ethyl-2-methylimidazol-4-yl)methanol?
(3-ethyl-2-methylimidazol-4-yl)methanol has a molecular weight of 140.19 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-2-methylimidazol-4-yl)methanol is sourced from PubChem (CID 117193179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).