N-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]-3-propan-2-yloxypropan-1-amine

C16H22BrN3O — CID 119128377

IUPACN-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]-3-propan-2-yloxypropan-1-amine
SMILESCC(C)OCCCNCc1ncc(-c2cccc(Br)c2)[nH]1
InChIInChI=1S/C16H22BrN3O/c1-12(2)21-8-4-7-18-11-16-19-10-15(20-16)13-5-3-6-14(17)9-13/h3,5-6,9-10,12,18H,4,7-8,11H2,1-2H3,(H,19,20)
InChIKeyBQZMJOLQTWQIAR-UHFFFAOYSA-N
MW352.28 g/mol
LogP3.74
Rot. Bonds8

About N-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]-3-propan-2-yloxypropan-1-amine

N-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]-3-propan-2-yloxypropan-1-amine (PubChem CID 119128377) has the molecular formula C16H22BrN3O and a molecular weight of 352.28 g/mol. Its IUPAC name is N-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]-3-propan-2-yloxypropan-1-amine.

Molecular Properties

Compound NameN-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]-3-propan-2-yloxypropan-1-amine
PubChem CID119128377
Molecular FormulaC16H22BrN3O
Molecular Weight352.28 g/mol
Exact Mass351.09
IUPAC NameN-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]-3-propan-2-yloxypropan-1-amine
SMILESCC(C)OCCCNCc1ncc(-c2cccc(Br)c2)[nH]1
InChIInChI=1S/C16H22BrN3O/c1-12(2)21-8-4-7-18-11-16-19-10-15(20-16)13-5-3-6-14(17)9-13/h3,5-6,9-10,12,18H,4,7-8,11H2,1-2H3,(H,19,20)
InChIKeyBQZMJOLQTWQIAR-UHFFFAOYSA-N
XLogP3.74
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]propan-2-amine
CID 60842734
3-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methylamino]-N,N-dimethylpropanamide
CID 119128447
1-[5-(3-bromophenyl)-1H-imidazol-2-yl]propan-2-amine
CID 60843198
1-[5-(3-bromophenyl)-1H-imidazol-2-yl]ethanamine
CID 43649869
N-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]-2-(methoxymethyl)aniline
CID 99578177
4-[[[5-(3-bromophenyl)-1H-imidazol-2-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962296
3-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]propan-1-ol
CID 111118388
N-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 119128419
N-[2-[(3-bromophenyl)methoxy]ethyl]-3-propan-2-yloxypropan-1-amine
CID 82825503
2-methoxy-N-[(5-naphthalen-2-yl-1H-imidazol-2-yl)methyl]ethanamine
CID 63954680
1-(3-bromophenoxy)-3-(3-propan-2-yloxypropylamino)propan-2-ol
CID 4555054
N-[(5-bromo-2-fluorophenyl)methyl]-3-propan-2-yloxypropan-1-amine
CID 28726559

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]-3-propan-2-yloxypropan-1-amine?
The IUPAC name of N-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]-3-propan-2-yloxypropan-1-amine (CID 119128377) is N-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]-3-propan-2-yloxypropan-1-amine.
What is the SMILES notation for N-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]-3-propan-2-yloxypropan-1-amine?
The canonical SMILES for N-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]-3-propan-2-yloxypropan-1-amine is CC(C)OCCCNCc1ncc(-c2cccc(Br)c2)[nH]1.
What is the InChIKey of N-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]-3-propan-2-yloxypropan-1-amine?
The InChIKey is BQZMJOLQTWQIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O/c1-12(2)21-8-4-7-18-11-16-19-10-15(20-16)13-5-3-6-14(17)9-13/h3,5-6,9-10,12,18H,4,7-8,11H2,1-2H3,(H,19,20).
What are the key properties of N-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]-3-propan-2-yloxypropan-1-amine?
N-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]-3-propan-2-yloxypropan-1-amine has a molecular weight of 352.28 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]-3-propan-2-yloxypropan-1-amine is sourced from PubChem (CID 119128377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).