1-[3-[(E)-but-2-en-2-yl]phenyl]-2-imidazol-1-ylethanol

C15H18N2O — CID 166313639

IUPAC1-[3-[(E)-but-2-en-2-yl]phenyl]-2-imidazol-1-ylethanol
SMILESC/C=C(\C)c1cccc(C(O)Cn2ccnc2)c1
InChIInChI=1S/C15H18N2O/c1-3-12(2)13-5-4-6-14(9-13)15(18)10-17-8-7-16-11-17/h3-9,11,15,18H,10H2,1-2H3/b12-3+
InChIKeyQJQYKEYKUDYPRP-KGVSQERTSA-N
MW242.32 g/mol
LogP3.04
Rot. Bonds4

About 1-[3-[(E)-but-2-en-2-yl]phenyl]-2-imidazol-1-ylethanol

1-[3-[(E)-but-2-en-2-yl]phenyl]-2-imidazol-1-ylethanol (PubChem CID 166313639) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[3-[(E)-but-2-en-2-yl]phenyl]-2-imidazol-1-ylethanol.

Molecular Properties

Compound Name1-[3-[(E)-but-2-en-2-yl]phenyl]-2-imidazol-1-ylethanol
PubChem CID166313639
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-[3-[(E)-but-2-en-2-yl]phenyl]-2-imidazol-1-ylethanol
SMILESC/C=C(\C)c1cccc(C(O)Cn2ccnc2)c1
InChIInChI=1S/C15H18N2O/c1-3-12(2)13-5-4-6-14(9-13)15(18)10-17-8-7-16-11-17/h3-9,11,15,18H,10H2,1-2H3/b12-3+
InChIKeyQJQYKEYKUDYPRP-KGVSQERTSA-N
XLogP3.04
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-fluorophenyl)-2-imidazol-1-ylethanol
CID 156700970
1-(2,6-dichlorophenyl)-2-imidazol-1-ylethanol
CID 12760610
2-(1-imidazol-1-ylpropan-2-ylamino)-1-(3-methoxyphenyl)ethanol
CID 81133447
2-imidazol-1-yl-1-(2,3,4,5,6-pentamethylphenyl)ethanol
CID 3057018
3-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide
CID 75373604
1-(2-chlorophenyl)-2-imidazol-1-ylethanol
CID 12760607
1-imidazol-1-yl-3-methylbutan-2-ol
CID 22324700
(2-imidazol-1-yl-1-phenylethyl) acetate
CID 3242727
2-imidazol-1-yl-1-phenylethanamine
CID 5195236
2-imidazol-1-yl-1-(3-methoxyphenyl)ethanamine
CID 16641645
1-[2-(4-fluorophenyl)-2-phenylethyl]imidazole
CID 14211259
(1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
CID 853401

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(E)-but-2-en-2-yl]phenyl]-2-imidazol-1-ylethanol?
The IUPAC name of 1-[3-[(E)-but-2-en-2-yl]phenyl]-2-imidazol-1-ylethanol (CID 166313639) is 1-[3-[(E)-but-2-en-2-yl]phenyl]-2-imidazol-1-ylethanol.
What is the SMILES notation for 1-[3-[(E)-but-2-en-2-yl]phenyl]-2-imidazol-1-ylethanol?
The canonical SMILES for 1-[3-[(E)-but-2-en-2-yl]phenyl]-2-imidazol-1-ylethanol is C/C=C(\C)c1cccc(C(O)Cn2ccnc2)c1.
What is the InChIKey of 1-[3-[(E)-but-2-en-2-yl]phenyl]-2-imidazol-1-ylethanol?
The InChIKey is QJQYKEYKUDYPRP-KGVSQERTSA-N. The full InChI is InChI=1S/C15H18N2O/c1-3-12(2)13-5-4-6-14(9-13)15(18)10-17-8-7-16-11-17/h3-9,11,15,18H,10H2,1-2H3/b12-3+.
What are the key properties of 1-[3-[(E)-but-2-en-2-yl]phenyl]-2-imidazol-1-ylethanol?
1-[3-[(E)-but-2-en-2-yl]phenyl]-2-imidazol-1-ylethanol has a molecular weight of 242.32 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(E)-but-2-en-2-yl]phenyl]-2-imidazol-1-ylethanol is sourced from PubChem (CID 166313639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).