3-[[2-(3-bromo-5-chlorophenyl)imidazol-1-yl]methyl]phenol

C16H12BrClN2O — CID 82560859

IUPAC3-[[2-(3-bromo-5-chlorophenyl)imidazol-1-yl]methyl]phenol
SMILESOc1cccc(Cn2ccnc2-c2cc(Cl)cc(Br)c2)c1
InChIInChI=1S/C16H12BrClN2O/c17-13-7-12(8-14(18)9-13)16-19-4-5-20(16)10-11-2-1-3-15(21)6-11/h1-9,21H,10H2
InChIKeyKQGRAIRWUVLOCV-UHFFFAOYSA-N
MW363.64 g/mol
LogP4.72
Rot. Bonds3

About 3-[[2-(3-bromo-5-chlorophenyl)imidazol-1-yl]methyl]phenol

3-[[2-(3-bromo-5-chlorophenyl)imidazol-1-yl]methyl]phenol (PubChem CID 82560859) has the molecular formula C16H12BrClN2O and a molecular weight of 363.64 g/mol. Its IUPAC name is 3-[[2-(3-bromo-5-chlorophenyl)imidazol-1-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[2-(3-bromo-5-chlorophenyl)imidazol-1-yl]methyl]phenol
PubChem CID82560859
Molecular FormulaC16H12BrClN2O
Molecular Weight363.64 g/mol
Exact Mass361.98
IUPAC Name3-[[2-(3-bromo-5-chlorophenyl)imidazol-1-yl]methyl]phenol
SMILESOc1cccc(Cn2ccnc2-c2cc(Cl)cc(Br)c2)c1
InChIInChI=1S/C16H12BrClN2O/c17-13-7-12(8-14(18)9-13)16-19-4-5-20(16)10-11-2-1-3-15(21)6-11/h1-9,21H,10H2
InChIKeyKQGRAIRWUVLOCV-UHFFFAOYSA-N
XLogP4.72
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.64
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenol
CID 82560734
2,4,6-tris(1-benzylimidazol-2-yl)phenol
CID 136721299
3-[[2-(4-bromophenyl)imidazol-1-yl]methyl]aniline
CID 82559674
3-[[2-(3-chlorophenyl)imidazol-1-yl]methyl]benzenecarbothioamide
CID 82559182
3-[[2-(4-chlorophenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560578
3-[(2-tert-butylimidazol-1-yl)methyl]phenol
CID 82560371
3-[2-(3-bromo-5-chlorophenyl)imidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 82562393
1-[(3-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole
CID 82561963
3-[[2-[(2-chlorophenyl)methyl]imidazol-1-yl]methyl]phenol
CID 82560019
1-[(4-bromophenyl)methyl]-2-(3,4-difluorophenyl)imidazole
CID 82562103
1-[(4-chlorophenyl)methyl]-2-phenylimidazole
CID 3042995
[3-[(2-phenylimidazol-1-yl)methyl]phenyl]methanamine
CID 61069749

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-bromo-5-chlorophenyl)imidazol-1-yl]methyl]phenol?
The IUPAC name of 3-[[2-(3-bromo-5-chlorophenyl)imidazol-1-yl]methyl]phenol (CID 82560859) is 3-[[2-(3-bromo-5-chlorophenyl)imidazol-1-yl]methyl]phenol.
What is the SMILES notation for 3-[[2-(3-bromo-5-chlorophenyl)imidazol-1-yl]methyl]phenol?
The canonical SMILES for 3-[[2-(3-bromo-5-chlorophenyl)imidazol-1-yl]methyl]phenol is Oc1cccc(Cn2ccnc2-c2cc(Cl)cc(Br)c2)c1.
What is the InChIKey of 3-[[2-(3-bromo-5-chlorophenyl)imidazol-1-yl]methyl]phenol?
The InChIKey is KQGRAIRWUVLOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClN2O/c17-13-7-12(8-14(18)9-13)16-19-4-5-20(16)10-11-2-1-3-15(21)6-11/h1-9,21H,10H2.
What are the key properties of 3-[[2-(3-bromo-5-chlorophenyl)imidazol-1-yl]methyl]phenol?
3-[[2-(3-bromo-5-chlorophenyl)imidazol-1-yl]methyl]phenol has a molecular weight of 363.64 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-bromo-5-chlorophenyl)imidazol-1-yl]methyl]phenol is sourced from PubChem (CID 82560859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).