N-[3-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide

C25H27N3O2S — CID 16982084

IUPACN-[3-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide
SMILESCc1ccc(OCCn2c(CCCNC(=O)c3cccs3)nc3ccccc32)c(C)c1
InChIInChI=1S/C25H27N3O2S/c1-18-11-12-22(19(2)17-18)30-15-14-28-21-8-4-3-7-20(21)27-24(28)10-5-13-26-25(29)23-9-6-16-31-23/h3-4,6-9,11-12,16-17H,5,10,13-15H2,1-2H3,(H,26,29)
InChIKeyPRJIJBUOAGYYGS-UHFFFAOYSA-N
MW433.58 g/mol
LogP5.16
Rot. Bonds9

About N-[3-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide

N-[3-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide (PubChem CID 16982084) has the molecular formula C25H27N3O2S and a molecular weight of 433.58 g/mol. Its IUPAC name is N-[3-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide
PubChem CID16982084
Molecular FormulaC25H27N3O2S
Molecular Weight433.58 g/mol
Exact Mass433.18
IUPAC NameN-[3-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide
SMILESCc1ccc(OCCn2c(CCCNC(=O)c3cccs3)nc3ccccc32)c(C)c1
InChIInChI=1S/C25H27N3O2S/c1-18-11-12-22(19(2)17-18)30-15-14-28-21-8-4-3-7-20(21)27-24(28)10-5-13-26-25(29)23-9-6-16-31-23/h3-4,6-9,11-12,16-17H,5,10,13-15H2,1-2H3,(H,26,29)
InChIKeyPRJIJBUOAGYYGS-UHFFFAOYSA-N
XLogP5.16
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.58
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]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

Related Compounds

N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide
CID 16994883
N-[5-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide
CID 16994838
N-[3-[1-(2-phenoxyethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide
CID 16982081
N-[3-[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide
CID 16982149
N-[3-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide
CID 16982120
N-[5-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide
CID 16987862
N-[2-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16975668
N-[5-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988024
N-[5-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide
CID 16991264
N-[5-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide
CID 16994853
(E)-N-[3-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]-3-phenylprop-2-enamide
CID 18888956
N-[2-[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16975675

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide (CID 16982084) is N-[3-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide is Cc1ccc(OCCn2c(CCCNC(=O)c3cccs3)nc3ccccc32)c(C)c1.
What is the InChIKey of N-[3-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide?
The InChIKey is PRJIJBUOAGYYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2S/c1-18-11-12-22(19(2)17-18)30-15-14-28-21-8-4-3-7-20(21)27-24(28)10-5-13-26-25(29)23-9-6-16-31-23/h3-4,6-9,11-12,16-17H,5,10,13-15H2,1-2H3,(H,26,29).
What are the key properties of N-[3-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide?
N-[3-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide has a molecular weight of 433.58 g/mol, XLogP of 5.16, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide is sourced from PubChem (CID 16982084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).