6-[(4-bromophenyl)methylidene]-1-(imidazol-1-ylmethyl)-2,2-dimethylcyclohexan-1-ol

C19H23BrN2O — CID 44522283

IUPAC6-[(4-bromophenyl)methylidene]-1-(imidazol-1-ylmethyl)-2,2-dimethylcyclohexan-1-ol
SMILESCC1(C)CCCC(=Cc2ccc(Br)cc2)C1(O)Cn1ccnc1
InChIInChI=1S/C19H23BrN2O/c1-18(2)9-3-4-16(12-15-5-7-17(20)8-6-15)19(18,23)13-22-11-10-21-14-22/h5-8,10-12,14,23H,3-4,9,13H2,1-2H3
InChIKeyRQUNKOFOOZBILH-UHFFFAOYSA-N
MW375.31 g/mol
LogP4.67
Rot. Bonds3

About 6-[(4-bromophenyl)methylidene]-1-(imidazol-1-ylmethyl)-2,2-dimethylcyclohexan-1-ol

6-[(4-bromophenyl)methylidene]-1-(imidazol-1-ylmethyl)-2,2-dimethylcyclohexan-1-ol (PubChem CID 44522283) has the molecular formula C19H23BrN2O and a molecular weight of 375.31 g/mol. Its IUPAC name is 6-[(4-bromophenyl)methylidene]-1-(imidazol-1-ylmethyl)-2,2-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name6-[(4-bromophenyl)methylidene]-1-(imidazol-1-ylmethyl)-2,2-dimethylcyclohexan-1-ol
PubChem CID44522283
Molecular FormulaC19H23BrN2O
Molecular Weight375.31 g/mol
Exact Mass374.10
IUPAC Name6-[(4-bromophenyl)methylidene]-1-(imidazol-1-ylmethyl)-2,2-dimethylcyclohexan-1-ol
SMILESCC1(C)CCCC(=Cc2ccc(Br)cc2)C1(O)Cn1ccnc1
InChIInChI=1S/C19H23BrN2O/c1-18(2)9-3-4-16(12-15-5-7-17(20)8-6-15)19(18,23)13-22-11-10-21-14-22/h5-8,10-12,14,23H,3-4,9,13H2,1-2H3
InChIKeyRQUNKOFOOZBILH-UHFFFAOYSA-N
XLogP4.67
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-Bromophenyl)-1-imidazol-1-ylbutan-2-ol;hydrochloride
CID 25143493
1-[4-(4-Bromophenyl)phenyl]-2-imidazol-1-ylethanol
CID 58580498
1-(4-bromophenyl)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethan-1-ol
CID 14518735
1-(3-Bromophenyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanol
CID 15737969
1-(3-bromophenyl)-1-(2,4-difluorophenyl)-2-(1H-imidazol-1-yl)ethan-1-ol
CID 15737970
1-(4-bromophenyl)-2-(1H-imidazol-1-yl)-1-phenylethan-1-ol
CID 15737971
1-(4-Bromophenyl)-1-(2-chlorophenyl)-2-imidazol-1-ylethanol
CID 15737972
1-(4-bromophenyl)-2-(1H-imidazol-1-yl)-1-(4-methylphenyl)ethan-1-ol
CID 15737974
1-(4-Bromophenyl)-1-(2,4-difluorophenyl)-2-imidazol-1-ylethanol
CID 15737975
2-(4-bromophenyl)-1-(1H-imidazol-2-ylmethylamino)butan-2-ol
CID 71969662
1-(4-Bromo-phenyl)-3-imidazol-1-yl-propan-1-ol
CID 21415362
1-(4-Bromophenyl)-2-imidazol-1-ylethanol
CID 12760612

Frequently Asked Questions

What is the IUPAC name of 6-[(4-bromophenyl)methylidene]-1-(imidazol-1-ylmethyl)-2,2-dimethylcyclohexan-1-ol?
The IUPAC name of 6-[(4-bromophenyl)methylidene]-1-(imidazol-1-ylmethyl)-2,2-dimethylcyclohexan-1-ol (CID 44522283) is 6-[(4-bromophenyl)methylidene]-1-(imidazol-1-ylmethyl)-2,2-dimethylcyclohexan-1-ol.
What is the SMILES notation for 6-[(4-bromophenyl)methylidene]-1-(imidazol-1-ylmethyl)-2,2-dimethylcyclohexan-1-ol?
The canonical SMILES for 6-[(4-bromophenyl)methylidene]-1-(imidazol-1-ylmethyl)-2,2-dimethylcyclohexan-1-ol is CC1(C)CCCC(=Cc2ccc(Br)cc2)C1(O)Cn1ccnc1.
What is the InChIKey of 6-[(4-bromophenyl)methylidene]-1-(imidazol-1-ylmethyl)-2,2-dimethylcyclohexan-1-ol?
The InChIKey is RQUNKOFOOZBILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O/c1-18(2)9-3-4-16(12-15-5-7-17(20)8-6-15)19(18,23)13-22-11-10-21-14-22/h5-8,10-12,14,23H,3-4,9,13H2,1-2H3.
What are the key properties of 6-[(4-bromophenyl)methylidene]-1-(imidazol-1-ylmethyl)-2,2-dimethylcyclohexan-1-ol?
6-[(4-bromophenyl)methylidene]-1-(imidazol-1-ylmethyl)-2,2-dimethylcyclohexan-1-ol has a molecular weight of 375.31 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-bromophenyl)methylidene]-1-(imidazol-1-ylmethyl)-2,2-dimethylcyclohexan-1-ol is sourced from PubChem (CID 44522283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).