1-[3-(imidazol-1-ylmethyl)-1-benzofuran-2-yl]-N-methylmethanamine

C14H15N3O — CID 62446991

IUPAC1-[3-(imidazol-1-ylmethyl)-1-benzofuran-2-yl]-N-methylmethanamine
SMILESCNCc1oc2ccccc2c1Cn1ccnc1
InChIInChI=1S/C14H15N3O/c1-15-8-14-12(9-17-7-6-16-10-17)11-4-2-3-5-13(11)18-14/h2-7,10,15H,8-9H2,1H3
InChIKeyXIXBWCKEJWNJOT-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.40
Rot. Bonds4

About 1-[3-(imidazol-1-ylmethyl)-1-benzofuran-2-yl]-N-methylmethanamine

1-[3-(imidazol-1-ylmethyl)-1-benzofuran-2-yl]-N-methylmethanamine (PubChem CID 62446991) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-[3-(imidazol-1-ylmethyl)-1-benzofuran-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(imidazol-1-ylmethyl)-1-benzofuran-2-yl]-N-methylmethanamine
PubChem CID62446991
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name1-[3-(imidazol-1-ylmethyl)-1-benzofuran-2-yl]-N-methylmethanamine
SMILESCNCc1oc2ccccc2c1Cn1ccnc1
InChIInChI=1S/C14H15N3O/c1-15-8-14-12(9-17-7-6-16-10-17)11-4-2-3-5-13(11)18-14/h2-7,10,15H,8-9H2,1H3
InChIKeyXIXBWCKEJWNJOT-UHFFFAOYSA-N
XLogP2.40
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(imidazol-1-ylmethyl)-1-benzofuran-3-yl]methyl]-2-methylpropan-1-amine
CID 62448133
1-[3-[(2-ethylimidazol-1-yl)methyl]-1-benzofuran-2-yl]-N-methylmethanamine
CID 62442757
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-imidazol-1-ylethanamine
CID 60669582
N-methyl-1-[3-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-2-yl]methanamine
CID 62437372
1-[3-[(3,5-dimethylpiperidin-1-yl)methyl]-1-benzofuran-2-yl]-N-methylmethanamine
CID 62423940
N-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-3-yl]methanamine
CID 55072986
1-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine
CID 62447902
N-methyl-1-[2-(piperidin-1-ylmethyl)-1-benzofuran-3-yl]methanamine
CID 62424895
N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]-N-propylpropan-1-amine
CID 62438010
1-(3-bromo-1-benzofuran-2-yl)-N-methylmethanamine
CID 84800316
1-(2-chloro-1-benzofuran-3-yl)-N-methylmethanamine
CID 82704880
N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]-N-propan-2-ylpropan-1-amine
CID 62421073

Frequently Asked Questions

What is the IUPAC name of 1-[3-(imidazol-1-ylmethyl)-1-benzofuran-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-(imidazol-1-ylmethyl)-1-benzofuran-2-yl]-N-methylmethanamine (CID 62446991) is 1-[3-(imidazol-1-ylmethyl)-1-benzofuran-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(imidazol-1-ylmethyl)-1-benzofuran-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(imidazol-1-ylmethyl)-1-benzofuran-2-yl]-N-methylmethanamine is CNCc1oc2ccccc2c1Cn1ccnc1.
What is the InChIKey of 1-[3-(imidazol-1-ylmethyl)-1-benzofuran-2-yl]-N-methylmethanamine?
The InChIKey is XIXBWCKEJWNJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-15-8-14-12(9-17-7-6-16-10-17)11-4-2-3-5-13(11)18-14/h2-7,10,15H,8-9H2,1H3.
What are the key properties of 1-[3-(imidazol-1-ylmethyl)-1-benzofuran-2-yl]-N-methylmethanamine?
1-[3-(imidazol-1-ylmethyl)-1-benzofuran-2-yl]-N-methylmethanamine has a molecular weight of 241.29 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(imidazol-1-ylmethyl)-1-benzofuran-2-yl]-N-methylmethanamine is sourced from PubChem (CID 62446991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).