1-(1H-benzimidazol-2-yl)-N-[(5-bromofuran-2-yl)methyl]ethanamine

C14H14BrN3O — CID 55023348

IUPAC1-(1H-benzimidazol-2-yl)-N-[(5-bromofuran-2-yl)methyl]ethanamine
SMILESCC(NCc1ccc(Br)o1)c1nc2ccccc2[nH]1
InChIInChI=1S/C14H14BrN3O/c1-9(16-8-10-6-7-13(15)19-10)14-17-11-4-2-3-5-12(11)18-14/h2-7,9,16H,8H2,1H3,(H,17,18)
InChIKeyARVKJTHLJCVBEC-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.77
Rot. Bonds4

About 1-(1H-benzimidazol-2-yl)-N-[(5-bromofuran-2-yl)methyl]ethanamine

1-(1H-benzimidazol-2-yl)-N-[(5-bromofuran-2-yl)methyl]ethanamine (PubChem CID 55023348) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-N-[(5-bromofuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-N-[(5-bromofuran-2-yl)methyl]ethanamine
PubChem CID55023348
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name1-(1H-benzimidazol-2-yl)-N-[(5-bromofuran-2-yl)methyl]ethanamine
SMILESCC(NCc1ccc(Br)o1)c1nc2ccccc2[nH]1
InChIInChI=1S/C14H14BrN3O/c1-9(16-8-10-6-7-13(15)19-10)14-17-11-4-2-3-5-12(11)18-14/h2-7,9,16H,8H2,1H3,(H,17,18)
InChIKeyARVKJTHLJCVBEC-UHFFFAOYSA-N
XLogP3.77
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-benzimidazol-2-yl)-N-[(5-chlorofuran-2-yl)methyl]ethanamine
CID 60665126
N-(1H-benzimidazol-2-ylmethyl)-1-(5-bromofuran-2-yl)methanamine
CID 78911310
1-(1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]ethanamine
CID 60664275
1-(1H-benzimidazol-2-yl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
CID 66397290
5-[[1-(1H-benzimidazol-2-yl)ethylamino]methyl]furan-3-carboxylic acid
CID 104608892
1-(1H-benzimidazol-2-yl)-N-[(2,3-difluorophenyl)methyl]ethanamine
CID 63668582
1-(1H-benzimidazol-2-yl)-N-[(3,4-dichlorophenyl)methyl]ethanamine
CID 60664241
1-(1H-benzimidazol-2-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62673724
1-(1H-benzimidazol-2-yl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62747856
1-(1H-benzimidazol-2-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 62673725
1-(1H-benzimidazol-2-yl)-N-(cyclohexylmethyl)ethanamine
CID 60665119
1-(1H-benzimidazol-2-yl)-N-[(3-chloro-4-methylphenyl)methyl]ethanamine
CID 106816789

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-N-[(5-bromofuran-2-yl)methyl]ethanamine?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-N-[(5-bromofuran-2-yl)methyl]ethanamine (CID 55023348) is 1-(1H-benzimidazol-2-yl)-N-[(5-bromofuran-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-N-[(5-bromofuran-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-N-[(5-bromofuran-2-yl)methyl]ethanamine is CC(NCc1ccc(Br)o1)c1nc2ccccc2[nH]1.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-N-[(5-bromofuran-2-yl)methyl]ethanamine?
The InChIKey is ARVKJTHLJCVBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-9(16-8-10-6-7-13(15)19-10)14-17-11-4-2-3-5-12(11)18-14/h2-7,9,16H,8H2,1H3,(H,17,18).
What are the key properties of 1-(1H-benzimidazol-2-yl)-N-[(5-bromofuran-2-yl)methyl]ethanamine?
1-(1H-benzimidazol-2-yl)-N-[(5-bromofuran-2-yl)methyl]ethanamine has a molecular weight of 320.19 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-N-[(5-bromofuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 55023348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).