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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).