(2S)-2-(4-bromophenyl)-1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazole

C17H17BrN2O — CID 781310

IUPAC(2S)-2-(4-bromophenyl)-1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazole
SMILESCC1(C)C(c2ccccc2)=N[C@H](c2ccc(Br)cc2)N1O
InChIInChI=1S/C17H17BrN2O/c1-17(2)15(12-6-4-3-5-7-12)19-16(20(17)21)13-8-10-14(18)11-9-13/h3-11,16,21H,1-2H3/t16-/m0/s1
InChIKeyDKJVLZWBRSUBKC-INIZCTEOSA-N
MW345.24 g/mol
LogP4.42
Rot. Bonds2

About (2S)-2-(4-bromophenyl)-1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazole

(2S)-2-(4-bromophenyl)-1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazole (PubChem CID 781310) has the molecular formula C17H17BrN2O and a molecular weight of 345.24 g/mol. Its IUPAC name is (2S)-2-(4-bromophenyl)-1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazole.

Molecular Properties

Compound Name(2S)-2-(4-bromophenyl)-1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazole
PubChem CID781310
Molecular FormulaC17H17BrN2O
Molecular Weight345.24 g/mol
Exact Mass344.05
IUPAC Name(2S)-2-(4-bromophenyl)-1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazole
SMILESCC1(C)C(c2ccccc2)=N[C@H](c2ccc(Br)cc2)N1O
InChIInChI=1S/C17H17BrN2O/c1-17(2)15(12-6-4-3-5-7-12)19-16(20(17)21)13-8-10-14(18)11-9-13/h3-11,16,21H,1-2H3/t16-/m0/s1
InChIKeyDKJVLZWBRSUBKC-INIZCTEOSA-N
XLogP4.42
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(4-bromophenyl)-1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-hydroxy-2-(4-methoxyphenyl)-5,5-dimethyl-4-phenyl-2H-imidazole
CID 781273
3-[(2R)-1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazol-2-yl]pyridine
CID 781274
1-hydroxy-2-(2-methoxyphenyl)-5,5-dimethyl-4-phenyl-2H-imidazole
CID 2842353
(2R)-2-(4-bromophenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole
CID 747318
2-(1-hydroxy-5,5-dimethyl-2-phenyl-2H-imidazol-4-yl)pyridine
CID 4662302
(2S,5R)-2,4,5-triphenyl-1,3-diazabicyclo[3.1.0]hex-3-ene
CID 7471917
(4-bromophenyl)-[(4S,6R)-5-hydroxy-4,6-dimethyl-3-phenyl-4H-1,2,5-oxadiazin-6-yl]methanone
CID 9102018
2-(4-bromophenyl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 122477886
1-bromo-4-[(1S,2R)-3-(4-bromophenyl)-2-methyl-2,4-diphenylcyclopent-3-en-1-yl]benzene
CID 71534409
2-(4-bromophenyl)-5-ethyl-3-hydroxy-4,4-dimethyl-2H-imidazol-1-ium
CID 4523278
bis[4-benzyl-5-(4-bromophenyl)-2-phenyl-4,5-dihydroimidazol-1-yl]methanone
CID 174925723
1-[(3S)-3-(4-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one
CID 1211650

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromophenyl)-1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazole?
The IUPAC name of (2S)-2-(4-bromophenyl)-1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazole (CID 781310) is (2S)-2-(4-bromophenyl)-1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazole.
What is the SMILES notation for (2S)-2-(4-bromophenyl)-1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazole?
The canonical SMILES for (2S)-2-(4-bromophenyl)-1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazole is CC1(C)C(c2ccccc2)=N[C@H](c2ccc(Br)cc2)N1O.
What is the InChIKey of (2S)-2-(4-bromophenyl)-1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazole?
The InChIKey is DKJVLZWBRSUBKC-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17BrN2O/c1-17(2)15(12-6-4-3-5-7-12)19-16(20(17)21)13-8-10-14(18)11-9-13/h3-11,16,21H,1-2H3/t16-/m0/s1.
What are the key properties of (2S)-2-(4-bromophenyl)-1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazole?
(2S)-2-(4-bromophenyl)-1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazole has a molecular weight of 345.24 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-bromophenyl)-1-hydroxy-5,5-dimethyl-4-phenyl-2H-imidazole is sourced from PubChem (CID 781310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).