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

C17H16BrN3 — CID 174448095

IUPAC[3-[4-[(4-bromophenyl)methyl]-4H-imidazol-2-yl]phenyl]methanamine
SMILESNCc1cccc(C2=NC(Cc3ccc(Br)cc3)C=N2)c1
InChIInChI=1S/C17H16BrN3/c18-15-6-4-12(5-7-15)9-16-11-20-17(21-16)14-3-1-2-13(8-14)10-19/h1-8,11,16H,9-10,19H2
InChIKeyUMZDSABESZLNKS-UHFFFAOYSA-N
MW342.24 g/mol
LogP3.35
Rot. Bonds4

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

[3-[4-[(4-bromophenyl)methyl]-4H-imidazol-2-yl]phenyl]methanamine (PubChem CID 174448095) has the molecular formula C17H16BrN3 and a molecular weight of 342.24 g/mol. Its IUPAC name is [3-[4-[(4-bromophenyl)methyl]-4H-imidazol-2-yl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[4-[(4-bromophenyl)methyl]-4H-imidazol-2-yl]phenyl]methanamine
PubChem CID174448095
Molecular FormulaC17H16BrN3
Molecular Weight342.24 g/mol
Exact Mass341.05
IUPAC Name[3-[4-[(4-bromophenyl)methyl]-4H-imidazol-2-yl]phenyl]methanamine
SMILESNCc1cccc(C2=NC(Cc3ccc(Br)cc3)C=N2)c1
InChIInChI=1S/C17H16BrN3/c18-15-6-4-12(5-7-15)9-16-11-20-17(21-16)14-3-1-2-13(8-14)10-19/h1-8,11,16H,9-10,19H2
InChIKeyUMZDSABESZLNKS-UHFFFAOYSA-N
XLogP3.35
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[4-[(4-bromophenyl)methyl]-4H-imidazol-2-yl]phenyl]methanamine?
The IUPAC name of [3-[4-[(4-bromophenyl)methyl]-4H-imidazol-2-yl]phenyl]methanamine (CID 174448095) is [3-[4-[(4-bromophenyl)methyl]-4H-imidazol-2-yl]phenyl]methanamine.
What is the SMILES notation for [3-[4-[(4-bromophenyl)methyl]-4H-imidazol-2-yl]phenyl]methanamine?
The canonical SMILES for [3-[4-[(4-bromophenyl)methyl]-4H-imidazol-2-yl]phenyl]methanamine is NCc1cccc(C2=NC(Cc3ccc(Br)cc3)C=N2)c1.
What is the InChIKey of [3-[4-[(4-bromophenyl)methyl]-4H-imidazol-2-yl]phenyl]methanamine?
The InChIKey is UMZDSABESZLNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3/c18-15-6-4-12(5-7-15)9-16-11-20-17(21-16)14-3-1-2-13(8-14)10-19/h1-8,11,16H,9-10,19H2.
What are the key properties of [3-[4-[(4-bromophenyl)methyl]-4H-imidazol-2-yl]phenyl]methanamine?
[3-[4-[(4-bromophenyl)methyl]-4H-imidazol-2-yl]phenyl]methanamine has a molecular weight of 342.24 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[(4-bromophenyl)methyl]-4H-imidazol-2-yl]phenyl]methanamine is sourced from PubChem (CID 174448095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).