3-(2-benzyl-5-methylimidazol-1-yl)-N-[(4-chlorophenyl)methyl]propan-1-amine

C21H24ClN3 — CID 19429372

IUPAC3-(2-benzyl-5-methylimidazol-1-yl)-N-[(4-chlorophenyl)methyl]propan-1-amine
SMILESCc1cnc(Cc2ccccc2)n1CCCNCc1ccc(Cl)cc1
InChIInChI=1S/C21H24ClN3/c1-17-15-24-21(14-18-6-3-2-4-7-18)25(17)13-5-12-23-16-19-8-10-20(22)11-9-19/h2-4,6-11,15,23H,5,12-14,16H2,1H3
InChIKeyOXZCCBGPTPRGLR-UHFFFAOYSA-N
MW353.90 g/mol
LogP4.62
Rot. Bonds8

About 3-(2-benzyl-5-methylimidazol-1-yl)-N-[(4-chlorophenyl)methyl]propan-1-amine

3-(2-benzyl-5-methylimidazol-1-yl)-N-[(4-chlorophenyl)methyl]propan-1-amine (PubChem CID 19429372) has the molecular formula C21H24ClN3 and a molecular weight of 353.90 g/mol. Its IUPAC name is 3-(2-benzyl-5-methylimidazol-1-yl)-N-[(4-chlorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-(2-benzyl-5-methylimidazol-1-yl)-N-[(4-chlorophenyl)methyl]propan-1-amine
PubChem CID19429372
Molecular FormulaC21H24ClN3
Molecular Weight353.90 g/mol
Exact Mass353.17
IUPAC Name3-(2-benzyl-5-methylimidazol-1-yl)-N-[(4-chlorophenyl)methyl]propan-1-amine
SMILESCc1cnc(Cc2ccccc2)n1CCCNCc1ccc(Cl)cc1
InChIInChI=1S/C21H24ClN3/c1-17-15-24-21(14-18-6-3-2-4-7-18)25(17)13-5-12-23-16-19-8-10-20(22)11-9-19/h2-4,6-11,15,23H,5,12-14,16H2,1H3
InChIKeyOXZCCBGPTPRGLR-UHFFFAOYSA-N
XLogP4.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.90
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-(2-methylimidazol-1-yl)propan-1-amine
CID 19429371
N-[(4-chlorophenyl)methyl]-3-(4,5-dimethylimidazol-1-yl)propan-1-amine
CID 19429433
N,N'-bis[(4-chlorophenyl)methyl]butane-1,4-diamine
CID 131985015
N-[(4-chlorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657714
N'-[(4-chlorophenyl)methyl]-N-ethylpropane-1,3-diamine
CID 17215378
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(4-chlorophenyl)ethanamine
CID 60687993
N-[(4-chlorophenyl)methyl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-amine;dihydrochloride
CID 19429502
N-[(4-chlorophenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 103649533
N'-benzylethane-1,2-diamine;dihydrochloride
CID 161258578
1-[3-(benzylamino)propyl]-3,7-dimethylpurine-2,6-dione
CID 54209939
N-benzyl-2-(5-methylimidazol-1-yl)ethanamine
CID 18722767
N-[(4-chlorophenyl)methyl]-3-(2,3-dihydroindol-1-yl)propan-1-amine
CID 29275975

Frequently Asked Questions

What is the IUPAC name of 3-(2-benzyl-5-methylimidazol-1-yl)-N-[(4-chlorophenyl)methyl]propan-1-amine?
The IUPAC name of 3-(2-benzyl-5-methylimidazol-1-yl)-N-[(4-chlorophenyl)methyl]propan-1-amine (CID 19429372) is 3-(2-benzyl-5-methylimidazol-1-yl)-N-[(4-chlorophenyl)methyl]propan-1-amine.
What is the SMILES notation for 3-(2-benzyl-5-methylimidazol-1-yl)-N-[(4-chlorophenyl)methyl]propan-1-amine?
The canonical SMILES for 3-(2-benzyl-5-methylimidazol-1-yl)-N-[(4-chlorophenyl)methyl]propan-1-amine is Cc1cnc(Cc2ccccc2)n1CCCNCc1ccc(Cl)cc1.
What is the InChIKey of 3-(2-benzyl-5-methylimidazol-1-yl)-N-[(4-chlorophenyl)methyl]propan-1-amine?
The InChIKey is OXZCCBGPTPRGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3/c1-17-15-24-21(14-18-6-3-2-4-7-18)25(17)13-5-12-23-16-19-8-10-20(22)11-9-19/h2-4,6-11,15,23H,5,12-14,16H2,1H3.
What are the key properties of 3-(2-benzyl-5-methylimidazol-1-yl)-N-[(4-chlorophenyl)methyl]propan-1-amine?
3-(2-benzyl-5-methylimidazol-1-yl)-N-[(4-chlorophenyl)methyl]propan-1-amine has a molecular weight of 353.90 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-benzyl-5-methylimidazol-1-yl)-N-[(4-chlorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 19429372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).