[4-[[2-[(3-bromo-5-chlorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine

C18H17BrClN3 — CID 82558528

IUPAC[4-[[2-[(3-bromo-5-chlorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
SMILESNCc1ccc(Cn2ccnc2Cc2cc(Cl)cc(Br)c2)cc1
InChIInChI=1S/C18H17BrClN3/c19-16-7-15(8-17(20)10-16)9-18-22-5-6-23(18)12-14-3-1-13(11-21)2-4-14/h1-8,10H,9,11-12,21H2
InChIKeyWCZUQPHZVCPISN-UHFFFAOYSA-N
MW390.71 g/mol
LogP4.40
Rot. Bonds5

About [4-[[2-[(3-bromo-5-chlorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine

[4-[[2-[(3-bromo-5-chlorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine (PubChem CID 82558528) has the molecular formula C18H17BrClN3 and a molecular weight of 390.71 g/mol. Its IUPAC name is [4-[[2-[(3-bromo-5-chlorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[[2-[(3-bromo-5-chlorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
PubChem CID82558528
Molecular FormulaC18H17BrClN3
Molecular Weight390.71 g/mol
Exact Mass389.03
IUPAC Name[4-[[2-[(3-bromo-5-chlorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
SMILESNCc1ccc(Cn2ccnc2Cc2cc(Cl)cc(Br)c2)cc1
InChIInChI=1S/C18H17BrClN3/c19-16-7-15(8-17(20)10-16)9-18-22-5-6-23(18)12-14-3-1-13(11-21)2-4-14/h1-8,10H,9,11-12,21H2
InChIKeyWCZUQPHZVCPISN-UHFFFAOYSA-N
XLogP4.40
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.71
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-[(3-bromo-5-chlorophenyl)methyl]imidazol-1-yl]methyl]aniline
CID 82558525
1-[(4-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole
CID 82561962
2-[(3-bromo-5-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]imidazole
CID 82562006
[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-[[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]methyl]aniline
CID 82558475
[3-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558173
[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
2-[(4-bromophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]imidazole
CID 82561862
4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenol
CID 82560108
[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-bromo-5-chlorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine?
The IUPAC name of [4-[[2-[(3-bromo-5-chlorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine (CID 82558528) is [4-[[2-[(3-bromo-5-chlorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine.
What is the SMILES notation for [4-[[2-[(3-bromo-5-chlorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine?
The canonical SMILES for [4-[[2-[(3-bromo-5-chlorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine is NCc1ccc(Cn2ccnc2Cc2cc(Cl)cc(Br)c2)cc1.
What is the InChIKey of [4-[[2-[(3-bromo-5-chlorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine?
The InChIKey is WCZUQPHZVCPISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrClN3/c19-16-7-15(8-17(20)10-16)9-18-22-5-6-23(18)12-14-3-1-13(11-21)2-4-14/h1-8,10H,9,11-12,21H2.
What are the key properties of [4-[[2-[(3-bromo-5-chlorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine?
[4-[[2-[(3-bromo-5-chlorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine has a molecular weight of 390.71 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-[(3-bromo-5-chlorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine is sourced from PubChem (CID 82558528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).