5-[(4-chlorophenyl)methylidene]-1-(imidazol-1-ylmethyl)-2,2-dimethylcyclohexan-1-ol

C19H23ClN2O — CID 44522284

IUPAC5-[(4-chlorophenyl)methylidene]-1-(imidazol-1-ylmethyl)-2,2-dimethylcyclohexan-1-ol
SMILESCC1(C)CCC(=Cc2ccc(Cl)cc2)CC1(O)Cn1ccnc1
InChIInChI=1S/C19H23ClN2O/c1-18(2)8-7-16(11-15-3-5-17(20)6-4-15)12-19(18,23)13-22-10-9-21-14-22/h3-6,9-11,14,23H,7-8,12-13H2,1-2H3
InChIKeyDMYSWZSVMPWRKX-UHFFFAOYSA-N
MW330.86 g/mol
LogP4.56
Rot. Bonds3

About 5-[(4-chlorophenyl)methylidene]-1-(imidazol-1-ylmethyl)-2,2-dimethylcyclohexan-1-ol

5-[(4-chlorophenyl)methylidene]-1-(imidazol-1-ylmethyl)-2,2-dimethylcyclohexan-1-ol (PubChem CID 44522284) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methylidene]-1-(imidazol-1-ylmethyl)-2,2-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methylidene]-1-(imidazol-1-ylmethyl)-2,2-dimethylcyclohexan-1-ol
PubChem CID44522284
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC Name5-[(4-chlorophenyl)methylidene]-1-(imidazol-1-ylmethyl)-2,2-dimethylcyclohexan-1-ol
SMILESCC1(C)CCC(=Cc2ccc(Cl)cc2)CC1(O)Cn1ccnc1
InChIInChI=1S/C19H23ClN2O/c1-18(2)8-7-16(11-15-3-5-17(20)6-4-15)12-19(18,23)13-22-10-9-21-14-22/h3-6,9-11,14,23H,7-8,12-13H2,1-2H3
InChIKeyDMYSWZSVMPWRKX-UHFFFAOYSA-N
XLogP4.56
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R,5E)-5-[(4-chlorophenyl)methylidene]-1-(imidazol-1-ylmethyl)-2-methoxy-2-methylcyclohexan-1-ol
CID 94840150
[3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidin-5-yl]methanol
CID 14326454
5-[(4-fluorophenyl)methylidene]-1-(imidazol-1-ylmethyl)-2,2-dimethylcyclopent-3-en-1-ol
CID 67715872
1-[[2-[2-(4-chlorophenyl)ethyl]-4-ethyl-4-methyl-1,3-dioxan-2-yl]methyl]imidazole;hydrochloride
CID 70549755
(1R)-5-[(4-chlorophenyl)methylidene]-1-[(dimethylamino)methyl]-2,2-dimethylcyclopentan-1-ol
CID 68554310
1-[[1-(4-chlorophenyl)-2-(4-phenylphenyl)cyclopropyl]methyl]imidazole
CID 13326948
1-[[2-[2-(4-chlorophenyl)ethyl]-4-ethyl-1,3-dioxolan-2-yl]methyl]imidazole;oxalic acid
CID 20547826
1-[[2-(2,4-dichlorophenyl)oxiran-2-yl]methyl]imidazole
CID 2783908
N-[1-[3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidin-5-yl]ethylidene]hydroxylamine
CID 86742471
1-[[2-[3-(4-chlorophenyl)propyl]-4-ethyl-1,3-dithiolan-2-yl]methyl]imidazole
CID 20518474
cis-(1R,2R)-1-[(4-chlorophenyl)methyl]-2-(imidazol-1-ylmethyl)cyclopentan-1-ol
CID 67648052
1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)cyclopropan-1-amine;dihydrochloride
CID 19429364

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methylidene]-1-(imidazol-1-ylmethyl)-2,2-dimethylcyclohexan-1-ol?
The IUPAC name of 5-[(4-chlorophenyl)methylidene]-1-(imidazol-1-ylmethyl)-2,2-dimethylcyclohexan-1-ol (CID 44522284) is 5-[(4-chlorophenyl)methylidene]-1-(imidazol-1-ylmethyl)-2,2-dimethylcyclohexan-1-ol.
What is the SMILES notation for 5-[(4-chlorophenyl)methylidene]-1-(imidazol-1-ylmethyl)-2,2-dimethylcyclohexan-1-ol?
The canonical SMILES for 5-[(4-chlorophenyl)methylidene]-1-(imidazol-1-ylmethyl)-2,2-dimethylcyclohexan-1-ol is CC1(C)CCC(=Cc2ccc(Cl)cc2)CC1(O)Cn1ccnc1.
What is the InChIKey of 5-[(4-chlorophenyl)methylidene]-1-(imidazol-1-ylmethyl)-2,2-dimethylcyclohexan-1-ol?
The InChIKey is DMYSWZSVMPWRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O/c1-18(2)8-7-16(11-15-3-5-17(20)6-4-15)12-19(18,23)13-22-10-9-21-14-22/h3-6,9-11,14,23H,7-8,12-13H2,1-2H3.
What are the key properties of 5-[(4-chlorophenyl)methylidene]-1-(imidazol-1-ylmethyl)-2,2-dimethylcyclohexan-1-ol?
5-[(4-chlorophenyl)methylidene]-1-(imidazol-1-ylmethyl)-2,2-dimethylcyclohexan-1-ol has a molecular weight of 330.86 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methylidene]-1-(imidazol-1-ylmethyl)-2,2-dimethylcyclohexan-1-ol is sourced from PubChem (CID 44522284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).