1-(1-ethylimidazol-2-yl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine

C16H19N3O — CID 105149774

IUPAC1-(1-ethylimidazol-2-yl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
SMILESCCn1ccnc1C(NC)c1cc2cc(C)ccc2o1
InChIInChI=1S/C16H19N3O/c1-4-19-8-7-18-16(19)15(17-3)14-10-12-9-11(2)5-6-13(12)20-14/h5-10,15,17H,4H2,1-3H3
InChIKeyIMRTUEJLQQUREC-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.27
Rot. Bonds4

About 1-(1-ethylimidazol-2-yl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine

1-(1-ethylimidazol-2-yl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine (PubChem CID 105149774) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
PubChem CID105149774
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-(1-ethylimidazol-2-yl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
SMILESCCn1ccnc1C(NC)c1cc2cc(C)ccc2o1
InChIInChI=1S/C16H19N3O/c1-4-19-8-7-18-16(19)15(17-3)14-10-12-9-11(2)5-6-13(12)20-14/h5-10,15,17H,4H2,1-3H3
InChIKeyIMRTUEJLQQUREC-UHFFFAOYSA-N
XLogP3.27
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methyl-1-benzofuran-2-yl)-(1-propylimidazol-2-yl)methanol
CID 105098446
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(6-methyl-2-pyridinyl)methanamine
CID 114728572
1-(2,6-dimethyl-4-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 107503555
1-(5-ethylfuran-2-yl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105045342
1-(2,5-dimethylfuran-3-yl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine
CID 61317086
[(2-ethyl-1,2,4-triazol-3-yl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 112744358
1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 114729955
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-phenylmethanamine
CID 114727848
1-(5-bromo-2-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 114730873
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(5-methyl-3-pyridinyl)methanamine
CID 105173880
1-(3,5-difluorophenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 114728139
[(5-methyl-1-benzofuran-2-yl)-pyrimidin-2-ylmethyl]hydrazine
CID 105203566

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of 1-(1-ethylimidazol-2-yl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine (CID 105149774) is 1-(1-ethylimidazol-2-yl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine is CCn1ccnc1C(NC)c1cc2cc(C)ccc2o1.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine?
The InChIKey is IMRTUEJLQQUREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-4-19-8-7-18-16(19)15(17-3)14-10-12-9-11(2)5-6-13(12)20-14/h5-10,15,17H,4H2,1-3H3.
What are the key properties of 1-(1-ethylimidazol-2-yl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine?
1-(1-ethylimidazol-2-yl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine has a molecular weight of 269.35 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-2-yl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 105149774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).