N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-imidazol-1-ylethanamine

C16H19N3O — CID 60669582

IUPACN-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-imidazol-1-ylethanamine
SMILESCCc1oc2ccccc2c1CNCCn1ccnc1
InChIInChI=1S/C16H19N3O/c1-2-15-14(13-5-3-4-6-16(13)20-15)11-17-7-9-19-10-8-18-12-19/h3-6,8,10,12,17H,2,7,9,11H2,1H3
InChIKeyJGAQXCGCZUQOLV-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.98
Rot. Bonds6

About N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-imidazol-1-ylethanamine

N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-imidazol-1-ylethanamine (PubChem CID 60669582) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-imidazol-1-ylethanamine.

Molecular Properties

Compound NameN-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-imidazol-1-ylethanamine
PubChem CID60669582
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-imidazol-1-ylethanamine
SMILESCCc1oc2ccccc2c1CNCCn1ccnc1
InChIInChI=1S/C16H19N3O/c1-2-15-14(13-5-3-4-6-16(13)20-15)11-17-7-9-19-10-8-18-12-19/h3-6,8,10,12,17H,2,7,9,11H2,1H3
InChIKeyJGAQXCGCZUQOLV-UHFFFAOYSA-N
XLogP2.98
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-pyridin-4-ylethanamine
CID 60902981
N-[[2-(imidazol-1-ylmethyl)-1-benzofuran-3-yl]methyl]-2-methylpropan-1-amine
CID 62448133
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 82882297
N'-[(2-ethyl-1-benzofuran-3-yl)methyl]ethane-1,2-diamine
CID 60888739
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63332180
N-[(2-ethyl-1-benzofuran-3-yl)methyl]pentan-1-amine
CID 43226064
1-[3-(imidazol-1-ylmethyl)-1-benzofuran-2-yl]-N-methylmethanamine
CID 62446991
N-(2-imidazol-1-ylethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine
CID 61325314
1-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-2-ol
CID 43226104
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
CID 79492984
2-imidazol-1-yl-N-[(4-methoxynaphthalen-1-yl)methyl]ethanamine
CID 78975055
N-[(1-ethylpyrrol-2-yl)methyl]-2-imidazol-1-ylethanamine
CID 66413353

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-imidazol-1-ylethanamine?
The IUPAC name of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-imidazol-1-ylethanamine (CID 60669582) is N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-imidazol-1-ylethanamine.
What is the SMILES notation for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-imidazol-1-ylethanamine?
The canonical SMILES for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-imidazol-1-ylethanamine is CCc1oc2ccccc2c1CNCCn1ccnc1.
What is the InChIKey of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-imidazol-1-ylethanamine?
The InChIKey is JGAQXCGCZUQOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-15-14(13-5-3-4-6-16(13)20-15)11-17-7-9-19-10-8-18-12-19/h3-6,8,10,12,17H,2,7,9,11H2,1H3.
What are the key properties of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-imidazol-1-ylethanamine?
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-imidazol-1-ylethanamine has a molecular weight of 269.35 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-imidazol-1-ylethanamine is sourced from PubChem (CID 60669582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).