N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-1-imidazol-1-ylpropan-2-amine

C16H18BrN3O — CID 43749723

IUPACN-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-1-imidazol-1-ylpropan-2-amine
SMILESCC(Cn1ccnc1)NC(C)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C16H18BrN3O/c1-11(9-20-6-5-18-10-20)19-12(2)16-8-13-7-14(17)3-4-15(13)21-16/h3-8,10-12,19H,9H2,1-2H3
InChIKeyCBXSEJPUVGGONH-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.13
Rot. Bonds5

About N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-1-imidazol-1-ylpropan-2-amine

N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-1-imidazol-1-ylpropan-2-amine (PubChem CID 43749723) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-1-imidazol-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-1-imidazol-1-ylpropan-2-amine
PubChem CID43749723
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC NameN-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-1-imidazol-1-ylpropan-2-amine
SMILESCC(Cn1ccnc1)NC(C)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C16H18BrN3O/c1-11(9-20-6-5-18-10-20)19-12(2)16-8-13-7-14(17)3-4-15(13)21-16/h3-8,10-12,19H,9H2,1-2H3
InChIKeyCBXSEJPUVGGONH-UHFFFAOYSA-N
XLogP4.13
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-4-methylpentan-2-amine
CID 43371885
1-imidazol-1-yl-N-(1-phenylethyl)propan-2-amine
CID 43749763
1-imidazol-1-yl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-2-amine
CID 43749714
(1S)-N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-1-pyridin-2-ylethanamine
CID 81392904
5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-2-methylbenzamide
CID 65311773
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-imidazol-1-ylpropan-2-amine
CID 43791944
4-[1-(1-imidazol-1-ylpropan-2-ylamino)ethyl]phenol
CID 43749727
1-imidazol-1-yl-N-[1-(3-methylphenyl)ethyl]propan-2-amine
CID 43791961
1-(5-bromo-1-benzofuran-2-yl)-N-[2-(2,2-difluoroethoxy)ethyl]ethanamine
CID 103082635
4-bromo-2-(1-imidazol-1-ylpropan-2-ylamino)benzonitrile
CID 114901585
N-[(4-bromo-2-chlorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 115652117
N-[1-(4-tert-butylphenyl)ethyl]-1-imidazol-1-ylpropan-2-amine
CID 43749787

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-1-imidazol-1-ylpropan-2-amine?
The IUPAC name of N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-1-imidazol-1-ylpropan-2-amine (CID 43749723) is N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-1-imidazol-1-ylpropan-2-amine.
What is the SMILES notation for N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-1-imidazol-1-ylpropan-2-amine?
The canonical SMILES for N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-1-imidazol-1-ylpropan-2-amine is CC(Cn1ccnc1)NC(C)c1cc2cc(Br)ccc2o1.
What is the InChIKey of N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-1-imidazol-1-ylpropan-2-amine?
The InChIKey is CBXSEJPUVGGONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c1-11(9-20-6-5-18-10-20)19-12(2)16-8-13-7-14(17)3-4-15(13)21-16/h3-8,10-12,19H,9H2,1-2H3.
What are the key properties of N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-1-imidazol-1-ylpropan-2-amine?
N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-1-imidazol-1-ylpropan-2-amine has a molecular weight of 348.24 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-1-imidazol-1-ylpropan-2-amine is sourced from PubChem (CID 43749723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).