N-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine

C18H22BrN5 — CID 119129489

IUPACN-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)c(C)c1CCNCc1ncc(-c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C18H22BrN5/c1-12-16(13(2)24(3)23-12)8-9-20-11-18-21-10-17(22-18)14-4-6-15(19)7-5-14/h4-7,10,20H,8-9,11H2,1-3H3,(H,21,22)
InChIKeySLLPOBDEUKBQMG-UHFFFAOYSA-N
MW388.31 g/mol
LogP3.52
Rot. Bonds6

About N-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine

N-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine (PubChem CID 119129489) has the molecular formula C18H22BrN5 and a molecular weight of 388.31 g/mol. Its IUPAC name is N-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
PubChem CID119129489
Molecular FormulaC18H22BrN5
Molecular Weight388.31 g/mol
Exact Mass387.11
IUPAC NameN-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)c(C)c1CCNCc1ncc(-c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C18H22BrN5/c1-12-16(13(2)24(3)23-12)8-9-20-11-18-21-10-17(22-18)14-4-6-15(19)7-5-14/h4-7,10,20H,8-9,11H2,1-3H3,(H,21,22)
InChIKeySLLPOBDEUKBQMG-UHFFFAOYSA-N
XLogP3.52
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]propan-1-ol
CID 111118388
2-[5-[4-(4-bromophenyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid
CID 67370873
N-[(3-methylthiophen-2-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 78860782
N-[(2,3-dimethylphenyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 86812510
2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]-2-methylpropan-1-ol
CID 111421674
N-[[5-[4-(5-bromothiophen-2-yl)phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine
CID 130415020
1-(4-bromophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 60663985
4-[[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962048
1-(4-bromophenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 105089316
N-[(2,4,5-trimethoxyphenyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 86931343
1-(4-bromophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine
CID 43695533
1-(4-bromophenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-ol
CID 105077459

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The IUPAC name of N-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine (CID 119129489) is N-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine is Cc1nn(C)c(C)c1CCNCc1ncc(-c2ccc(Br)cc2)[nH]1.
What is the InChIKey of N-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The InChIKey is SLLPOBDEUKBQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN5/c1-12-16(13(2)24(3)23-12)8-9-20-11-18-21-10-17(22-18)14-4-6-15(19)7-5-14/h4-7,10,20H,8-9,11H2,1-3H3,(H,21,22).
What are the key properties of N-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
N-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine has a molecular weight of 388.31 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 119129489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).