N-[1H-imidazol-2-yl-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine

C16H19N3O — CID 114730166

IUPACN-[1H-imidazol-2-yl-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ncc[nH]1)c1cc2cc(C)ccc2o1
InChIInChI=1S/C16H19N3O/c1-3-6-17-15(16-18-7-8-19-16)14-10-12-9-11(2)4-5-13(12)20-14/h4-5,7-10,15,17H,3,6H2,1-2H3,(H,18,19)
InChIKeyMBFUBYITZOPDAC-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.55
Rot. Bonds5

About N-[1H-imidazol-2-yl-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine

N-[1H-imidazol-2-yl-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine (PubChem CID 114730166) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[1H-imidazol-2-yl-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[1H-imidazol-2-yl-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
PubChem CID114730166
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[1H-imidazol-2-yl-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ncc[nH]1)c1cc2cc(C)ccc2o1
InChIInChI=1S/C16H19N3O/c1-3-6-17-15(16-18-7-8-19-16)14-10-12-9-11(2)4-5-13(12)20-14/h4-5,7-10,15,17H,3,6H2,1-2H3,(H,18,19)
InChIKeyMBFUBYITZOPDAC-UHFFFAOYSA-N
XLogP3.55
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methyl-1-benzofuran-2-yl)-phenylmethyl]propan-1-amine
CID 114727860
N-[(5-methyl-1-benzofuran-2-yl)-pyridin-3-ylmethyl]propan-1-amine
CID 114727737
N-[(5-bromofuran-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 105045147
N-[(5-methyl-1-benzofuran-2-yl)-(1,3-thiazol-5-yl)methyl]propan-1-amine
CID 114730213
N-[(5-methyl-1-benzofuran-2-yl)-(4-methylthiophen-3-yl)methyl]propan-1-amine
CID 114730144
2,3-dimethyl-1-(5-methyl-1-benzofuran-2-yl)-N-propylbutan-1-amine
CID 105045138
1-(5-methyl-1-benzofuran-2-yl)-N-propylprop-2-yn-1-amine
CID 105158225
N-[(3-bromothiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 105045202
N-[(2,6-difluoro-3-methylphenyl)-(1H-imidazol-2-yl)methyl]propan-1-amine
CID 82822556
[(5-methyl-1-benzofuran-2-yl)-pyrimidin-2-ylmethyl]hydrazine
CID 105203566
N-[3,4-dihydro-2H-pyran-6-yl(1H-imidazol-2-yl)methyl]propan-1-amine
CID 102647869
1-(1-ethylimidazol-2-yl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105149774

Frequently Asked Questions

What is the IUPAC name of N-[1H-imidazol-2-yl-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[1H-imidazol-2-yl-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine (CID 114730166) is N-[1H-imidazol-2-yl-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[1H-imidazol-2-yl-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[1H-imidazol-2-yl-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine is CCCNC(c1ncc[nH]1)c1cc2cc(C)ccc2o1.
What is the InChIKey of N-[1H-imidazol-2-yl-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine?
The InChIKey is MBFUBYITZOPDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-6-17-15(16-18-7-8-19-16)14-10-12-9-11(2)4-5-13(12)20-14/h4-5,7-10,15,17H,3,6H2,1-2H3,(H,18,19).
What are the key properties of N-[1H-imidazol-2-yl-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine?
N-[1H-imidazol-2-yl-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine has a molecular weight of 269.35 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1H-imidazol-2-yl-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 114730166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).