(1S)-2-[4-(imidazol-1-ylmethyl)phenyl]cyclohex-2-en-1-ol

C16H18N2O — CID 166306335

IUPAC(1S)-2-[4-(imidazol-1-ylmethyl)phenyl]cyclohex-2-en-1-ol
SMILESO[C@H]1CCCC=C1c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C16H18N2O/c19-16-4-2-1-3-15(16)14-7-5-13(6-8-14)11-18-10-9-17-12-18/h3,5-10,12,16,19H,1-2,4,11H2/t16-/m0/s1
InChIKeyRBSTVJYXGCQMFS-INIZCTEOSA-N
MW254.33 g/mol
LogP2.86
Rot. Bonds3

About (1S)-2-[4-(imidazol-1-ylmethyl)phenyl]cyclohex-2-en-1-ol

(1S)-2-[4-(imidazol-1-ylmethyl)phenyl]cyclohex-2-en-1-ol (PubChem CID 166306335) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is (1S)-2-[4-(imidazol-1-ylmethyl)phenyl]cyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1S)-2-[4-(imidazol-1-ylmethyl)phenyl]cyclohex-2-en-1-ol
PubChem CID166306335
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name(1S)-2-[4-(imidazol-1-ylmethyl)phenyl]cyclohex-2-en-1-ol
SMILESO[C@H]1CCCC=C1c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C16H18N2O/c19-16-4-2-1-3-15(16)14-7-5-13(6-8-14)11-18-10-9-17-12-18/h3,5-10,12,16,19H,1-2,4,11H2/t16-/m0/s1
InChIKeyRBSTVJYXGCQMFS-INIZCTEOSA-N
XLogP2.86
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-4-(imidazol-1-ylmethyl)benzamide
CID 43918576
1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]imidazole
CID 28740129
5-[4-(imidazol-1-ylmethyl)phenyl]benzene-1,2,3-triol
CID 23644764
1-[(4-methylphenyl)methyl]imidazole;molecular hydrogen
CID 167543192
1-[4-(imidazol-1-ylmethyl)phenyl]azetidine-3-carboxylic acid
CID 166452538
1-cyclohexyl-3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 110958222
4-(cyclohexylcarbamoylamino)-N-[4-(imidazol-1-ylmethyl)phenyl]piperidine-1-carboxamide
CID 86933267
1-[1-[[3-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]piperidin-4-yl]ethane-1,2-diol
CID 166622132
[3-(hydroxymethyl)azetidin-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 121105751
[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl] formate
CID 58482968
4-(imidazol-1-ylmethyl)benzoate
CID 42555847
5-[4-(imidazol-1-ylmethyl)phenyl]-2,3-dihydro-1H-isoindole
CID 72910079

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[4-(imidazol-1-ylmethyl)phenyl]cyclohex-2-en-1-ol?
The IUPAC name of (1S)-2-[4-(imidazol-1-ylmethyl)phenyl]cyclohex-2-en-1-ol (CID 166306335) is (1S)-2-[4-(imidazol-1-ylmethyl)phenyl]cyclohex-2-en-1-ol.
What is the SMILES notation for (1S)-2-[4-(imidazol-1-ylmethyl)phenyl]cyclohex-2-en-1-ol?
The canonical SMILES for (1S)-2-[4-(imidazol-1-ylmethyl)phenyl]cyclohex-2-en-1-ol is O[C@H]1CCCC=C1c1ccc(Cn2ccnc2)cc1.
What is the InChIKey of (1S)-2-[4-(imidazol-1-ylmethyl)phenyl]cyclohex-2-en-1-ol?
The InChIKey is RBSTVJYXGCQMFS-INIZCTEOSA-N. The full InChI is InChI=1S/C16H18N2O/c19-16-4-2-1-3-15(16)14-7-5-13(6-8-14)11-18-10-9-17-12-18/h3,5-10,12,16,19H,1-2,4,11H2/t16-/m0/s1.
What are the key properties of (1S)-2-[4-(imidazol-1-ylmethyl)phenyl]cyclohex-2-en-1-ol?
(1S)-2-[4-(imidazol-1-ylmethyl)phenyl]cyclohex-2-en-1-ol has a molecular weight of 254.33 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[4-(imidazol-1-ylmethyl)phenyl]cyclohex-2-en-1-ol is sourced from PubChem (CID 166306335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).