N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide

C24H19N3O2 — CID 155567243

IUPACN-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCc1cccc(Cn2cnc3ccccc32)c1)c1cc2ccccc2o1
InChIInChI=1S/C24H19N3O2/c28-24(23-13-19-8-1-4-11-22(19)29-23)25-14-17-6-5-7-18(12-17)15-27-16-26-20-9-2-3-10-21(20)27/h1-13,16H,14-15H2,(H,25,28)
InChIKeyONKMUSYUZMBVCV-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.76
Rot. Bonds5

About N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide

N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 155567243) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
PubChem CID155567243
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC NameN-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCc1cccc(Cn2cnc3ccccc32)c1)c1cc2ccccc2o1
InChIInChI=1S/C24H19N3O2/c28-24(23-13-19-8-1-4-11-22(19)29-23)25-14-17-6-5-7-18(12-17)15-27-16-26-20-9-2-3-10-21(20)27/h1-13,16H,14-15H2,(H,25,28)
InChIKeyONKMUSYUZMBVCV-UHFFFAOYSA-N
XLogP4.76
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide 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 N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide (CID 155567243) is N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide is O=C(NCc1cccc(Cn2cnc3ccccc32)c1)c1cc2ccccc2o1.
What is the InChIKey of N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
The InChIKey is ONKMUSYUZMBVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2/c28-24(23-13-19-8-1-4-11-22(19)29-23)25-14-17-6-5-7-18(12-17)15-27-16-26-20-9-2-3-10-21(20)27/h1-13,16H,14-15H2,(H,25,28).
What are the key properties of N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 155567243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).