N-[[2-(imidazol-1-ylmethyl)-1-benzofuran-3-yl]methyl]-2-methylpropan-1-amine

C17H21N3O — CID 62448133

IUPACN-[[2-(imidazol-1-ylmethyl)-1-benzofuran-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1c(Cn2ccnc2)oc2ccccc12
InChIInChI=1S/C17H21N3O/c1-13(2)9-19-10-15-14-5-3-4-6-16(14)21-17(15)11-20-8-7-18-12-20/h3-8,12-13,19H,9-11H2,1-2H3
InChIKeyTXULJKDTRSWQRL-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.42
Rot. Bonds6

About N-[[2-(imidazol-1-ylmethyl)-1-benzofuran-3-yl]methyl]-2-methylpropan-1-amine

N-[[2-(imidazol-1-ylmethyl)-1-benzofuran-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62448133) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[[2-(imidazol-1-ylmethyl)-1-benzofuran-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(imidazol-1-ylmethyl)-1-benzofuran-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID62448133
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[[2-(imidazol-1-ylmethyl)-1-benzofuran-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1c(Cn2ccnc2)oc2ccccc12
InChIInChI=1S/C17H21N3O/c1-13(2)9-19-10-15-14-5-3-4-6-16(14)21-17(15)11-20-8-7-18-12-20/h3-8,12-13,19H,9-11H2,1-2H3
InChIKeyTXULJKDTRSWQRL-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(imidazol-1-ylmethyl)-1-benzofuran-2-yl]-N-methylmethanamine
CID 62446991
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-imidazol-1-ylethanamine
CID 60669582
N-[[3-(methoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-1-amine
CID 55073016
1-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-2-ol
CID 43226104
N-[[4-(imidazol-1-ylmethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 62447940
N-[[2-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-3-yl]methyl]propan-1-amine
CID 62446848
N-methyl-N-[[2-[(2-methylpropylamino)methyl]-1-benzofuran-3-yl]methyl]cyclopropanamine
CID 62417778
N-(2-imidazol-1-ylethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine
CID 61325314
N-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-3-yl]methanamine
CID 55072986
1-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43434685
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 82882297
N-[[1-(3-imidazol-1-ylpropyl)pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 66403216

Frequently Asked Questions

What is the IUPAC name of N-[[2-(imidazol-1-ylmethyl)-1-benzofuran-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(imidazol-1-ylmethyl)-1-benzofuran-3-yl]methyl]-2-methylpropan-1-amine (CID 62448133) is N-[[2-(imidazol-1-ylmethyl)-1-benzofuran-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(imidazol-1-ylmethyl)-1-benzofuran-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(imidazol-1-ylmethyl)-1-benzofuran-3-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1c(Cn2ccnc2)oc2ccccc12.
What is the InChIKey of N-[[2-(imidazol-1-ylmethyl)-1-benzofuran-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is TXULJKDTRSWQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13(2)9-19-10-15-14-5-3-4-6-16(14)21-17(15)11-20-8-7-18-12-20/h3-8,12-13,19H,9-11H2,1-2H3.
What are the key properties of N-[[2-(imidazol-1-ylmethyl)-1-benzofuran-3-yl]methyl]-2-methylpropan-1-amine?
N-[[2-(imidazol-1-ylmethyl)-1-benzofuran-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 283.38 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(imidazol-1-ylmethyl)-1-benzofuran-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62448133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).