4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenol

C17H15BrN2O — CID 82560108

IUPAC4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenol
SMILESOc1ccc(Cn2ccnc2Cc2cccc(Br)c2)cc1
InChIInChI=1S/C17H15BrN2O/c18-15-3-1-2-14(10-15)11-17-19-8-9-20(17)12-13-4-6-16(21)7-5-13/h1-10,21H,11-12H2
InChIKeyIVVVQCNVEUMELG-UHFFFAOYSA-N
MW343.22 g/mol
LogP3.99
Rot. Bonds4

About 4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenol

4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenol (PubChem CID 82560108) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is 4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenol
PubChem CID82560108
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC Name4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenol
SMILESOc1ccc(Cn2ccnc2Cc2cccc(Br)c2)cc1
InChIInChI=1S/C17H15BrN2O/c18-15-3-1-2-14(10-15)11-17-19-8-9-20(17)12-13-4-6-16(21)7-5-13/h1-10,21H,11-12H2
InChIKeyIVVVQCNVEUMELG-UHFFFAOYSA-N
XLogP3.99
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558174
1-[(3-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole
CID 82561963
[3-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558173
2-[(3-bromophenyl)methyl]-1-[(2-chloro-6-fluorophenyl)methyl]imidazole
CID 82561893
1-[(3-bromophenyl)methyl]-2-ethylimidazole
CID 55150590
1-[(4-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole
CID 82561962
3-[[2-[(3,4-difluorophenyl)methyl]imidazol-1-yl]methyl]phenol
CID 82560208
4-[2-[(3-bromophenyl)methyl]imidazol-1-yl]butan-1-amine
CID 82558169
[4-[[2-[(3-bromo-5-chlorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558528
2-[(3-bromophenyl)methyl]-1-[(2,3-dimethoxyphenyl)methyl]imidazole
CID 82561895
4-[[2-(aminomethyl)imidazol-1-yl]methyl]phenol
CID 13477994
2-[(4-bromophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]imidazole
CID 82561862

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenol?
The IUPAC name of 4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenol (CID 82560108) is 4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenol.
What is the SMILES notation for 4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenol?
The canonical SMILES for 4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenol is Oc1ccc(Cn2ccnc2Cc2cccc(Br)c2)cc1.
What is the InChIKey of 4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenol?
The InChIKey is IVVVQCNVEUMELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O/c18-15-3-1-2-14(10-15)11-17-19-8-9-20(17)12-13-4-6-16(21)7-5-13/h1-10,21H,11-12H2.
What are the key properties of 4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenol?
4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenol has a molecular weight of 343.22 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenol is sourced from PubChem (CID 82560108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).