2-(1H-imidazol-5-yl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine

C15H17N3O2 — CID 64988267

IUPAC2-(1H-imidazol-5-yl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine
SMILESCOc1cccc2cc(CNCCc3cnc[nH]3)oc12
InChIInChI=1S/C15H17N3O2/c1-19-14-4-2-3-11-7-13(20-15(11)14)9-16-6-5-12-8-17-10-18-12/h2-4,7-8,10,16H,5-6,9H2,1H3,(H,17,18)
InChIKeyWLAKMGLKCATMJP-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.50
Rot. Bonds6

About 2-(1H-imidazol-5-yl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine

2-(1H-imidazol-5-yl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine (PubChem CID 64988267) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine
PubChem CID64988267
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-(1H-imidazol-5-yl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine
SMILESCOc1cccc2cc(CNCCc3cnc[nH]3)oc12
InChIInChI=1S/C15H17N3O2/c1-19-14-4-2-3-11-7-13(20-15(11)14)9-16-6-5-12-8-17-10-18-12/h2-4,7-8,10,16H,5-6,9H2,1H3,(H,17,18)
InChIKeyWLAKMGLKCATMJP-UHFFFAOYSA-N
XLogP2.50
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[(7-methoxy-1-benzofuran-2-yl)methyl]ethane-1,2-diamine
CID 19886076
N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106396540
2-(3-fluorophenyl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 55410255
N-[(2-chloro-6-methoxyphenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine
CID 115645178
N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 61211468
4-[(7-methoxy-1-benzofuran-2-yl)methylamino]butanoic acid
CID 60782962
N-[2-[(7-methoxy-1-benzofuran-2-yl)methylamino]ethyl]methanesulfonamide
CID 43771801
N-[2-(7-methoxy-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 70555736
N-[(4,5-dibromofuran-2-yl)methyl]-2-(1H-imidazol-5-yl)ethanamine
CID 65232025
N-[(2-ethoxy-3-methoxyphenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine
CID 94074514
1-(7-methoxy-1-benzofuran-2-yl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine
CID 114954888
2-butoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 61169329

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine?
The IUPAC name of 2-(1H-imidazol-5-yl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine (CID 64988267) is 2-(1H-imidazol-5-yl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(1H-imidazol-5-yl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(1H-imidazol-5-yl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine is COc1cccc2cc(CNCCc3cnc[nH]3)oc12.
What is the InChIKey of 2-(1H-imidazol-5-yl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine?
The InChIKey is WLAKMGLKCATMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-19-14-4-2-3-11-7-13(20-15(11)14)9-16-6-5-12-8-17-10-18-12/h2-4,7-8,10,16H,5-6,9H2,1H3,(H,17,18).
What are the key properties of 2-(1H-imidazol-5-yl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine?
2-(1H-imidazol-5-yl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine has a molecular weight of 271.32 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 64988267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).