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

C24H19N3OS — CID 155544939

IUPACN-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NCc1cccc(Cn2cnc3ccccc32)c1)c1cc2ccccc2s1
InChIInChI=1S/C24H19N3OS/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)
InChIKeyOFYDATGYSURYCA-UHFFFAOYSA-N
MW397.50 g/mol
LogP5.23
Rot. Bonds5

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

N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide (PubChem CID 155544939) has the molecular formula C24H19N3OS and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
PubChem CID155544939
Molecular FormulaC24H19N3OS
Molecular Weight397.50 g/mol
Exact Mass397.12
IUPAC NameN-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NCc1cccc(Cn2cnc3ccccc32)c1)c1cc2ccccc2s1
InChIInChI=1S/C24H19N3OS/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)
InChIKeyOFYDATGYSURYCA-UHFFFAOYSA-N
XLogP5.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.50
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-benzothiophene-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-benzothiophene-2-carboxamide?
The IUPAC name of N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide (CID 155544939) is N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide is O=C(NCc1cccc(Cn2cnc3ccccc32)c1)c1cc2ccccc2s1.
What is the InChIKey of N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide?
The InChIKey is OFYDATGYSURYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3OS/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-benzothiophene-2-carboxamide?
N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 5.23, 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-benzothiophene-2-carboxamide is sourced from PubChem (CID 155544939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).