[3-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine

C18H18BrN3 — CID 82558173

IUPAC[3-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
SMILESNCc1cccc(Cn2ccnc2Cc2cccc(Br)c2)c1
InChIInChI=1S/C18H18BrN3/c19-17-6-2-3-14(10-17)11-18-21-7-8-22(18)13-16-5-1-4-15(9-16)12-20/h1-10H,11-13,20H2
InChIKeyXWYPPVYITIMTIG-UHFFFAOYSA-N
MW356.27 g/mol
LogP3.74
Rot. Bonds5

About [3-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine

[3-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine (PubChem CID 82558173) has the molecular formula C18H18BrN3 and a molecular weight of 356.27 g/mol. Its IUPAC name is [3-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
PubChem CID82558173
Molecular FormulaC18H18BrN3
Molecular Weight356.27 g/mol
Exact Mass355.07
IUPAC Name[3-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
SMILESNCc1cccc(Cn2ccnc2Cc2cccc(Br)c2)c1
InChIInChI=1S/C18H18BrN3/c19-17-6-2-3-14(10-17)11-18-21-7-8-22(18)13-16-5-1-4-15(9-16)12-20/h1-10H,11-13,20H2
InChIKeyXWYPPVYITIMTIG-UHFFFAOYSA-N
XLogP3.74
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.27
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine 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

[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
4-[[1-[[3-(aminomethyl)phenyl]methyl]imidazol-2-yl]methyl]aniline
CID 82558654
4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenol
CID 82560108
1-[(3-bromophenyl)methyl]-2-ethylimidazole
CID 55150590
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-chloro-6-fluorophenyl)methyl]imidazole
CID 82561893
[4-[[2-[(3,4-difluorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558352
2-[(3-bromophenyl)methyl]-1-[(2,3-dimethoxyphenyl)methyl]imidazole
CID 82561895
[4-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]phenyl]methanamine
CID 82557868
[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methanamine
CID 62223886

Frequently Asked Questions

What is the IUPAC name of [3-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine?
The IUPAC name of [3-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine (CID 82558173) is [3-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine.
What is the SMILES notation for [3-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine?
The canonical SMILES for [3-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine is NCc1cccc(Cn2ccnc2Cc2cccc(Br)c2)c1.
What is the InChIKey of [3-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine?
The InChIKey is XWYPPVYITIMTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3/c19-17-6-2-3-14(10-17)11-18-21-7-8-22(18)13-16-5-1-4-15(9-16)12-20/h1-10H,11-13,20H2.
What are the key properties of [3-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine?
[3-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine has a molecular weight of 356.27 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine is sourced from PubChem (CID 82558173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).