N-[[2-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-3-yl]methyl]propan-1-amine

C17H21N3O — CID 62446848

IUPACN-[[2-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-3-yl]methyl]propan-1-amine
SMILESCCCNCc1c(Cn2ccnc2C)oc2ccccc12
InChIInChI=1S/C17H21N3O/c1-3-8-18-11-15-14-6-4-5-7-16(14)21-17(15)12-20-10-9-19-13(20)2/h4-7,9-10,18H,3,8,11-12H2,1-2H3
InChIKeyJWHGQUVEPGWSFD-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.49
Rot. Bonds6

About N-[[2-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-3-yl]methyl]propan-1-amine

N-[[2-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-3-yl]methyl]propan-1-amine (PubChem CID 62446848) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[[2-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-3-yl]methyl]propan-1-amine
PubChem CID62446848
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[[2-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-3-yl]methyl]propan-1-amine
SMILESCCCNCc1c(Cn2ccnc2C)oc2ccccc12
InChIInChI=1S/C17H21N3O/c1-3-8-18-11-15-14-6-4-5-7-16(14)21-17(15)12-20-10-9-19-13(20)2/h4-7,9-10,18H,3,8,11-12H2,1-2H3
InChIKeyJWHGQUVEPGWSFD-UHFFFAOYSA-N
XLogP3.49
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[2-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-3-yl]methyl]propan-1-amine with MolForge

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Related Compounds

1H-Imidazole, 2-(2-benzofuranyl)-, monohydrochloride
CID 3073595
2-(1-benzofuran-2-yl)-1H-imidazole
CID 3073596
1H-Imidazole, 2-(2-benzofuranyl)-1-methyl-, monohydrochloride
CID 3073597
1H-Imidazole, 2-(2-benofuranyl)-1-ethyl-, monohydrochloride
CID 3073603
1-(benzofuran-2-yl(4-chlorophenyl)methyl)-1H-imidazole
CID 9972577
Azole, 6
CID 53348136
{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-ylmethyl}-pyrazin-2-yl-amine
CID 11522882
Benzofuran-2-carboxylic acid (3-imidazol-1-yl-propyl)-amide
CID 2952642
N-[3-(1H-imidazol-1-yl)propyl]-3-methyl-1-benzofuran-2-carboxamide
CID 3146651
7-fluoro-N,3-dimethyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1-benzofuran-2-carboxamide
CID 23723707
2-Imidazol-1-ylmethyl-3-methyl-benzofuran-5-carboxylic acid
CID 13663090
4-(Imidazol-1-ylmethyl)-2,3-dimethyl-1-benzofuran-7-carbonitrile
CID 23365315

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-3-yl]methyl]propan-1-amine (CID 62446848) is N-[[2-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-3-yl]methyl]propan-1-amine is CCCNCc1c(Cn2ccnc2C)oc2ccccc12.
What is the InChIKey of N-[[2-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-3-yl]methyl]propan-1-amine?
The InChIKey is JWHGQUVEPGWSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-8-18-11-15-14-6-4-5-7-16(14)21-17(15)12-20-10-9-19-13(20)2/h4-7,9-10,18H,3,8,11-12H2,1-2H3.
What are the key properties of N-[[2-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-3-yl]methyl]propan-1-amine?
N-[[2-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-3-yl]methyl]propan-1-amine has a molecular weight of 283.38 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62446848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).