1-cyclohexa-2,4-dien-1-yl-2-imidazol-1-ylethanol

C11H14N2O — CID 178019202

IUPAC1-cyclohexa-2,4-dien-1-yl-2-imidazol-1-ylethanol
SMILESOC(Cn1ccnc1)C1C=CC=CC1
InChIInChI=1S/C11H14N2O/c14-11(8-13-7-6-12-9-13)10-4-2-1-3-5-10/h1-4,6-7,9-11,14H,5,8H2
InChIKeyUPDDWVWNBHFESQ-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.38
Rot. Bonds3

About 1-cyclohexa-2,4-dien-1-yl-2-imidazol-1-ylethanol

1-cyclohexa-2,4-dien-1-yl-2-imidazol-1-ylethanol (PubChem CID 178019202) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-cyclohexa-2,4-dien-1-yl-2-imidazol-1-ylethanol.

Molecular Properties

Compound Name1-cyclohexa-2,4-dien-1-yl-2-imidazol-1-ylethanol
PubChem CID178019202
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-cyclohexa-2,4-dien-1-yl-2-imidazol-1-ylethanol
SMILESOC(Cn1ccnc1)C1C=CC=CC1
InChIInChI=1S/C11H14N2O/c14-11(8-13-7-6-12-9-13)10-4-2-1-3-5-10/h1-4,6-7,9-11,14H,5,8H2
InChIKeyUPDDWVWNBHFESQ-UHFFFAOYSA-N
XLogP1.38
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-2,4-dien-1-yl-2-imidazol-1-ylethanol?
The IUPAC name of 1-cyclohexa-2,4-dien-1-yl-2-imidazol-1-ylethanol (CID 178019202) is 1-cyclohexa-2,4-dien-1-yl-2-imidazol-1-ylethanol.
What is the SMILES notation for 1-cyclohexa-2,4-dien-1-yl-2-imidazol-1-ylethanol?
The canonical SMILES for 1-cyclohexa-2,4-dien-1-yl-2-imidazol-1-ylethanol is OC(Cn1ccnc1)C1C=CC=CC1.
What is the InChIKey of 1-cyclohexa-2,4-dien-1-yl-2-imidazol-1-ylethanol?
The InChIKey is UPDDWVWNBHFESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c14-11(8-13-7-6-12-9-13)10-4-2-1-3-5-10/h1-4,6-7,9-11,14H,5,8H2.
What are the key properties of 1-cyclohexa-2,4-dien-1-yl-2-imidazol-1-ylethanol?
1-cyclohexa-2,4-dien-1-yl-2-imidazol-1-ylethanol has a molecular weight of 190.25 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-2,4-dien-1-yl-2-imidazol-1-ylethanol is sourced from PubChem (CID 178019202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).