N-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]thiophene-2-carboxamide

C21H19N3O2S — CID 1169319

IUPACN-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]thiophene-2-carboxamide
SMILESCc1ccccc1OCCn1c(NC(=O)c2cccs2)nc2ccccc21
InChIInChI=1S/C21H19N3O2S/c1-15-7-2-5-10-18(15)26-13-12-24-17-9-4-3-8-16(17)22-21(24)23-20(25)19-11-6-14-27-19/h2-11,14H,12-13H2,1H3,(H,22,23,25)
InChIKeyPIKLXZFORCQPLP-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.74
Rot. Bonds6

About N-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]thiophene-2-carboxamide

N-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]thiophene-2-carboxamide (PubChem CID 1169319) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]thiophene-2-carboxamide
PubChem CID1169319
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC NameN-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]thiophene-2-carboxamide
SMILESCc1ccccc1OCCn1c(NC(=O)c2cccs2)nc2ccccc21
InChIInChI=1S/C21H19N3O2S/c1-15-7-2-5-10-18(15)26-13-12-24-17-9-4-3-8-16(17)22-21(24)23-20(25)19-11-6-14-27-19/h2-11,14H,12-13H2,1H3,(H,22,23,25)
InChIKeyPIKLXZFORCQPLP-UHFFFAOYSA-N
XLogP4.74
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]thiophene-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-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]thiophene-2-carboxamide (CID 1169319) is N-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]thiophene-2-carboxamide is Cc1ccccc1OCCn1c(NC(=O)c2cccs2)nc2ccccc21.
What is the InChIKey of N-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]thiophene-2-carboxamide?
The InChIKey is PIKLXZFORCQPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-15-7-2-5-10-18(15)26-13-12-24-17-9-4-3-8-16(17)22-21(24)23-20(25)19-11-6-14-27-19/h2-11,14H,12-13H2,1H3,(H,22,23,25).
What are the key properties of N-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]thiophene-2-carboxamide?
N-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]thiophene-2-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 1169319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).