1-(1-benzofuran-2-yl)-2-(4,5-dimethylimidazol-1-yl)ethanamine

C15H17N3O — CID 62352150

IUPAC1-(1-benzofuran-2-yl)-2-(4,5-dimethylimidazol-1-yl)ethanamine
SMILESCc1ncn(CC(N)c2cc3ccccc3o2)c1C
InChIInChI=1S/C15H17N3O/c1-10-11(2)18(9-17-10)8-13(16)15-7-12-5-3-4-6-14(12)19-15/h3-7,9,13H,8,16H2,1-2H3
InChIKeyHFPKDLXLYUXKLL-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.95
Rot. Bonds3

About 1-(1-benzofuran-2-yl)-2-(4,5-dimethylimidazol-1-yl)ethanamine

1-(1-benzofuran-2-yl)-2-(4,5-dimethylimidazol-1-yl)ethanamine (PubChem CID 62352150) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-(4,5-dimethylimidazol-1-yl)ethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-(4,5-dimethylimidazol-1-yl)ethanamine
PubChem CID62352150
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-(1-benzofuran-2-yl)-2-(4,5-dimethylimidazol-1-yl)ethanamine
SMILESCc1ncn(CC(N)c2cc3ccccc3o2)c1C
InChIInChI=1S/C15H17N3O/c1-10-11(2)18(9-17-10)8-13(16)15-7-12-5-3-4-6-14(12)19-15/h3-7,9,13H,8,16H2,1-2H3
InChIKeyHFPKDLXLYUXKLL-UHFFFAOYSA-N
XLogP2.95
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzofuran-2-yl-(1,5-dimethylpyrazol-3-yl)methanamine
CID 114219353
2-amino-2-(1-benzofuran-2-yl)ethanol
CID 54265707
2-(4,5-dimethylimidazol-1-yl)-1-(4-ethylphenyl)ethanamine
CID 62350551
1-(1-benzofuran-2-yl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114537689
1-(1-benzofuran-2-yl)-2-(4,4-dimethylpiperidin-1-yl)ethanamine
CID 62935690
1-(1-benzofuran-2-yl)hex-4-yn-1-amine
CID 104805595
1-(3,4-dimethoxyphenyl)-2-(4,5-dimethylimidazol-1-yl)ethanamine
CID 62351977
2-(4,5-dimethylimidazol-1-yl)-N-methyl-1-naphthalen-2-ylethanamine
CID 62352149
1-(1-benzofuran-2-yl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 66394022
(1R)-1-(1-benzofuran-2-yl)ethanamine;hydrochloride
CID 75525569
1-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]-3-methylpyridin-2-one
CID 63172618
1-(1-benzofuran-2-yl)-2-tert-butylsulfanylethanamine
CID 64614485

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-(4,5-dimethylimidazol-1-yl)ethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-(4,5-dimethylimidazol-1-yl)ethanamine (CID 62352150) is 1-(1-benzofuran-2-yl)-2-(4,5-dimethylimidazol-1-yl)ethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-(4,5-dimethylimidazol-1-yl)ethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-(4,5-dimethylimidazol-1-yl)ethanamine is Cc1ncn(CC(N)c2cc3ccccc3o2)c1C.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-(4,5-dimethylimidazol-1-yl)ethanamine?
The InChIKey is HFPKDLXLYUXKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10-11(2)18(9-17-10)8-13(16)15-7-12-5-3-4-6-14(12)19-15/h3-7,9,13H,8,16H2,1-2H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-(4,5-dimethylimidazol-1-yl)ethanamine?
1-(1-benzofuran-2-yl)-2-(4,5-dimethylimidazol-1-yl)ethanamine has a molecular weight of 255.32 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-(4,5-dimethylimidazol-1-yl)ethanamine is sourced from PubChem (CID 62352150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).