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

C18H18BrN3 — CID 82558174

IUPAC[4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
SMILESNCc1ccc(Cn2ccnc2Cc2cccc(Br)c2)cc1
InChIInChI=1S/C18H18BrN3/c19-17-3-1-2-16(10-17)11-18-21-8-9-22(18)13-15-6-4-14(12-20)5-7-15/h1-10H,11-13,20H2
InChIKeyZVBBFSGTNWFKOP-UHFFFAOYSA-N
MW356.27 g/mol
LogP3.74
Rot. Bonds5

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

[4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine (PubChem CID 82558174) has the molecular formula C18H18BrN3 and a molecular weight of 356.27 g/mol. Its IUPAC name is [4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
PubChem CID82558174
Molecular FormulaC18H18BrN3
Molecular Weight356.27 g/mol
Exact Mass355.07
IUPAC Name[4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
SMILESNCc1ccc(Cn2ccnc2Cc2cccc(Br)c2)cc1
InChIInChI=1S/C18H18BrN3/c19-17-3-1-2-16(10-17)11-18-21-8-9-22(18)13-15-6-4-14(12-20)5-7-15/h1-10H,11-13,20H2
InChIKeyZVBBFSGTNWFKOP-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

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Related Compounds

[3-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558173
4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenol
CID 82560108
[4-[[2-[(3-bromo-5-chlorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558528
1-[(3-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole
CID 82561963
4-[2-[(3-bromophenyl)methyl]imidazol-1-yl]butan-1-amine
CID 82558169
[4-[[2-[(3,4-difluorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558352
[4-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]phenyl]methanamine
CID 82557868
4-[[1-[[3-(aminomethyl)phenyl]methyl]imidazol-2-yl]methyl]aniline
CID 82558654
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
[4-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82557940

Frequently Asked Questions

What is the IUPAC name of [4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine?
The IUPAC name of [4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine (CID 82558174) is [4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine.
What is the SMILES notation for [4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine?
The canonical SMILES for [4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine is NCc1ccc(Cn2ccnc2Cc2cccc(Br)c2)cc1.
What is the InChIKey of [4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine?
The InChIKey is ZVBBFSGTNWFKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3/c19-17-3-1-2-16(10-17)11-18-21-8-9-22(18)13-15-6-4-14(12-20)5-7-15/h1-10H,11-13,20H2.
What are the key properties of [4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine?
[4-[[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 [4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine is sourced from PubChem (CID 82558174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).