N-[(4-bromophenyl)methyl]-1-(4-imidazol-1-ylphenyl)methanamine

C17H16BrN3 — CID 60781344

IUPACN-[(4-bromophenyl)methyl]-1-(4-imidazol-1-ylphenyl)methanamine
SMILESBrc1ccc(CNCc2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C17H16BrN3/c18-16-5-1-14(2-6-16)11-20-12-15-3-7-17(8-4-15)21-10-9-19-13-21/h1-10,13,20H,11-12H2
InChIKeySECVGHBTTLNNOQ-UHFFFAOYSA-N
MW342.24 g/mol
LogP3.92
Rot. Bonds5

About N-[(4-bromophenyl)methyl]-1-(4-imidazol-1-ylphenyl)methanamine

N-[(4-bromophenyl)methyl]-1-(4-imidazol-1-ylphenyl)methanamine (PubChem CID 60781344) has the molecular formula C17H16BrN3 and a molecular weight of 342.24 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-1-(4-imidazol-1-ylphenyl)methanamine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-1-(4-imidazol-1-ylphenyl)methanamine
PubChem CID60781344
Molecular FormulaC17H16BrN3
Molecular Weight342.24 g/mol
Exact Mass341.05
IUPAC NameN-[(4-bromophenyl)methyl]-1-(4-imidazol-1-ylphenyl)methanamine
SMILESBrc1ccc(CNCc2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C17H16BrN3/c18-16-5-1-14(2-6-16)11-20-12-15-3-7-17(8-4-15)21-10-9-19-13-21/h1-10,13,20H,11-12H2
InChIKeySECVGHBTTLNNOQ-UHFFFAOYSA-N
XLogP3.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine
CID 43213832
2-(4-bromophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 52770659
N-[(4-imidazol-1-ylphenyl)methyl]-3-methylbutan-1-amine
CID 43220439
N-[(4-imidazol-1-ylphenyl)methyl]-2-methoxyethanamine
CID 43220295
N-[(4-imidazol-1-ylphenyl)methyl]octan-1-amine
CID 78911236
3-[(4-imidazol-1-ylphenyl)methylamino]propanoic acid
CID 43466403
1-N-[(4-imidazol-1-ylphenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913038
N-[(4-imidazol-1-ylphenyl)methyl]-2-methylsulfinylethanamine
CID 115632439
N-[(4-imidazol-1-ylphenyl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 115594086
1-(4-imidazol-1-ylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 61015233
N-[(4-imidazol-1-ylphenyl)methyl]aniline
CID 43229289
1-(4-bromophenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 834417

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-1-(4-imidazol-1-ylphenyl)methanamine?
The IUPAC name of N-[(4-bromophenyl)methyl]-1-(4-imidazol-1-ylphenyl)methanamine (CID 60781344) is N-[(4-bromophenyl)methyl]-1-(4-imidazol-1-ylphenyl)methanamine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-1-(4-imidazol-1-ylphenyl)methanamine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-1-(4-imidazol-1-ylphenyl)methanamine is Brc1ccc(CNCc2ccc(-n3ccnc3)cc2)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-1-(4-imidazol-1-ylphenyl)methanamine?
The InChIKey is SECVGHBTTLNNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3/c18-16-5-1-14(2-6-16)11-20-12-15-3-7-17(8-4-15)21-10-9-19-13-21/h1-10,13,20H,11-12H2.
What are the key properties of N-[(4-bromophenyl)methyl]-1-(4-imidazol-1-ylphenyl)methanamine?
N-[(4-bromophenyl)methyl]-1-(4-imidazol-1-ylphenyl)methanamine has a molecular weight of 342.24 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-1-(4-imidazol-1-ylphenyl)methanamine is sourced from PubChem (CID 60781344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).