1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]methanamine

C21H24N4O — CID 119121927

IUPAC1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]methanamine
SMILESCc1nccn1-c1ccc(CNCc2ccc3c(c2)CC(C)(C)O3)cn1
InChIInChI=1S/C21H24N4O/c1-15-23-8-9-25(15)20-7-5-17(14-24-20)13-22-12-16-4-6-19-18(10-16)11-21(2,3)26-19/h4-10,14,22H,11-13H2,1-3H3
InChIKeyRGFVCGLCCSBVQE-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.58
Rot. Bonds5

About 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]methanamine

1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]methanamine (PubChem CID 119121927) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]methanamine.

Molecular Properties

Compound Name1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]methanamine
PubChem CID119121927
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]methanamine
SMILESCc1nccn1-c1ccc(CNCc2ccc3c(c2)CC(C)(C)O3)cn1
InChIInChI=1S/C21H24N4O/c1-15-23-8-9-25(15)20-7-5-17(14-24-20)13-22-12-16-4-6-19-18(10-16)11-21(2,3)26-19/h4-10,14,22H,11-13H2,1-3H3
InChIKeyRGFVCGLCCSBVQE-UHFFFAOYSA-N
XLogP3.58
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]methanamine with MolForge

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Related Compounds

1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 63271028
1-(4-fluorophenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]methanamine
CID 51086195
1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 63270765
1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 103859267
N-[(2,4-dimethylphenyl)methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine
CID 47052690
N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine
CID 52516388
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine
CID 63270798
N-[(2-fluorophenyl)methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine
CID 51086201
1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
CID 119121837
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylpropan-2-amine
CID 63270797
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]hydroxylamine
CID 82684913
N-[(2-methoxyphenyl)methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine
CID 51086203

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]methanamine?
The IUPAC name of 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]methanamine (CID 119121927) is 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]methanamine.
What is the SMILES notation for 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]methanamine?
The canonical SMILES for 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]methanamine is Cc1nccn1-c1ccc(CNCc2ccc3c(c2)CC(C)(C)O3)cn1.
What is the InChIKey of 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]methanamine?
The InChIKey is RGFVCGLCCSBVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-15-23-8-9-25(15)20-7-5-17(14-24-20)13-22-12-16-4-6-19-18(10-16)11-21(2,3)26-19/h4-10,14,22H,11-13H2,1-3H3.
What are the key properties of 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]methanamine?
1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]methanamine has a molecular weight of 348.45 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]methanamine is sourced from PubChem (CID 119121927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).