N-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine

C15H19N3O — CID 106701215

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
SMILESCC1(C)Oc2ccccc2C1NCCc1cnc[nH]1
InChIInChI=1S/C15H19N3O/c1-15(2)14(12-5-3-4-6-13(12)19-15)17-8-7-11-9-16-10-18-11/h3-6,9-10,14,17H,7-8H2,1-2H3,(H,16,18)
InChIKeyJLNUICDWLZRMCK-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.45
Rot. Bonds4

About N-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine

N-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine (PubChem CID 106701215) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
PubChem CID106701215
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
SMILESCC1(C)Oc2ccccc2C1NCCc1cnc[nH]1
InChIInChI=1S/C15H19N3O/c1-15(2)14(12-5-3-4-6-13(12)19-15)17-8-7-11-9-16-10-18-11/h3-6,9-10,14,17H,7-8H2,1-2H3,(H,16,18)
InChIKeyJLNUICDWLZRMCK-UHFFFAOYSA-N
XLogP2.45
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3H-1-benzofuran-3-amine
CID 106701281
N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 106701120
2,2-dimethyl-N-[(E)-pent-3-enyl]-3H-1-benzofuran-3-amine
CID 106701422
6-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]hexan-1-ol
CID 107849705
N-hex-5-ynyl-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106209887
2,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3H-1-benzofuran-3-amine
CID 106701037
N-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658816
2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N-ethylethanesulfonamide
CID 106334729
N-(2-cyclohexyloxyethyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701163
3-[2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]ethylsulfanyl]propan-1-ol
CID 106309576
N-(2-bromoprop-2-enyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701421
N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701414

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine (CID 106701215) is N-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine is CC1(C)Oc2ccccc2C1NCCc1cnc[nH]1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine?
The InChIKey is JLNUICDWLZRMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-15(2)14(12-5-3-4-6-13(12)19-15)17-8-7-11-9-16-10-18-11/h3-6,9-10,14,17H,7-8H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine?
N-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine has a molecular weight of 257.34 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine is sourced from PubChem (CID 106701215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).