N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine

C14H17N3O2 — CID 51105870

IUPACN-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESCOc1cccc2cc(C(C)NC3=NCCN3)oc12
InChIInChI=1S/C14H17N3O2/c1-9(17-14-15-6-7-16-14)12-8-10-4-3-5-11(18-2)13(10)19-12/h3-5,8-9H,6-7H2,1-2H3,(H2,15,16,17)
InChIKeyVQNKXVSVMYCOPS-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.05
Rot. Bonds3

About N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine

N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 51105870) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID51105870
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESCOc1cccc2cc(C(C)NC3=NCCN3)oc12
InChIInChI=1S/C14H17N3O2/c1-9(17-14-15-6-7-16-14)12-8-10-4-3-5-11(18-2)13(10)19-12/h3-5,8-9H,6-7H2,1-2H3,(H2,15,16,17)
InChIKeyVQNKXVSVMYCOPS-UHFFFAOYSA-N
XLogP2.05
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine (CID 51105870) is N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine is COc1cccc2cc(C(C)NC3=NCCN3)oc12.
What is the InChIKey of N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is VQNKXVSVMYCOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9(17-14-15-6-7-16-14)12-8-10-4-3-5-11(18-2)13(10)19-12/h3-5,8-9H,6-7H2,1-2H3,(H2,15,16,17).
What are the key properties of N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine?
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 259.31 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 51105870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).