1-(5-bromofuran-2-yl)-2-(1-ethylbenzimidazol-2-yl)ethanamine

C15H16BrN3O — CID 105007761

IUPAC1-(5-bromofuran-2-yl)-2-(1-ethylbenzimidazol-2-yl)ethanamine
SMILESCCn1c(CC(N)c2ccc(Br)o2)nc2ccccc21
InChIInChI=1S/C15H16BrN3O/c1-2-19-12-6-4-3-5-11(12)18-15(19)9-10(17)13-7-8-14(16)20-13/h3-8,10H,2,9,17H2,1H3
InChIKeyDKBUIEQCBRYPFA-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.65
Rot. Bonds4

About 1-(5-bromofuran-2-yl)-2-(1-ethylbenzimidazol-2-yl)ethanamine

1-(5-bromofuran-2-yl)-2-(1-ethylbenzimidazol-2-yl)ethanamine (PubChem CID 105007761) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-2-(1-ethylbenzimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-2-(1-ethylbenzimidazol-2-yl)ethanamine
PubChem CID105007761
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name1-(5-bromofuran-2-yl)-2-(1-ethylbenzimidazol-2-yl)ethanamine
SMILESCCn1c(CC(N)c2ccc(Br)o2)nc2ccccc21
InChIInChI=1S/C15H16BrN3O/c1-2-19-12-6-4-3-5-11(12)18-15(19)9-10(17)13-7-8-14(16)20-13/h3-8,10H,2,9,17H2,1H3
InChIKeyDKBUIEQCBRYPFA-UHFFFAOYSA-N
XLogP3.65
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethylbenzimidazol-2-yl)-1-pyridin-2-ylethanamine
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1-(1-ethylbenzimidazol-2-yl)propan-2-ol
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4-ethoxy-1-(1-ethylbenzimidazol-2-yl)butan-2-amine
CID 105164972
1-(1-ethylbenzimidazol-2-yl)-3-methoxy-4,4-dimethylpentan-2-amine
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2-(1-ethylbenzimidazol-2-yl)-1-(5-methyloxolan-2-yl)ethanamine
CID 105007726
2-(1-propylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine
CID 79756292
1-(1-ethylbenzimidazol-2-yl)-4-methoxybutan-2-ol
CID 79754353
(1-ethylbenzimidazol-2-yl)methylhydrazine
CID 53275104
2-(1-ethylbenzimidazol-2-yl)acetaldehyde
CID 79753358
1-(1-ethylbenzimidazol-2-yl)-3-(oxolan-3-yl)propan-2-amine
CID 103986866
6-(1-ethylbenzimidazol-2-yl)-2-methylhexan-3-amine
CID 79750125

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-2-(1-ethylbenzimidazol-2-yl)ethanamine?
The IUPAC name of 1-(5-bromofuran-2-yl)-2-(1-ethylbenzimidazol-2-yl)ethanamine (CID 105007761) is 1-(5-bromofuran-2-yl)-2-(1-ethylbenzimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-2-(1-ethylbenzimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(5-bromofuran-2-yl)-2-(1-ethylbenzimidazol-2-yl)ethanamine is CCn1c(CC(N)c2ccc(Br)o2)nc2ccccc21.
What is the InChIKey of 1-(5-bromofuran-2-yl)-2-(1-ethylbenzimidazol-2-yl)ethanamine?
The InChIKey is DKBUIEQCBRYPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-2-19-12-6-4-3-5-11(12)18-15(19)9-10(17)13-7-8-14(16)20-13/h3-8,10H,2,9,17H2,1H3.
What are the key properties of 1-(5-bromofuran-2-yl)-2-(1-ethylbenzimidazol-2-yl)ethanamine?
1-(5-bromofuran-2-yl)-2-(1-ethylbenzimidazol-2-yl)ethanamine has a molecular weight of 334.22 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-2-(1-ethylbenzimidazol-2-yl)ethanamine is sourced from PubChem (CID 105007761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).