N-[3-(1-pentylbenzimidazol-2-yl)propyl]thiophene-2-carboxamide

C20H25N3OS — CID 3999689

IUPACN-[3-(1-pentylbenzimidazol-2-yl)propyl]thiophene-2-carboxamide
SMILESCCCCCn1c(CCCNC(=O)c2cccs2)nc2ccccc21
InChIInChI=1S/C20H25N3OS/c1-2-3-6-14-23-17-10-5-4-9-16(17)22-19(23)12-7-13-21-20(24)18-11-8-15-25-18/h4-5,8-11,15H,2-3,6-7,12-14H2,1H3,(H,21,24)
InChIKeyDXNVFOKLTUMITE-UHFFFAOYSA-N
MW355.51 g/mol
LogP4.65
Rot. Bonds9

About N-[3-(1-pentylbenzimidazol-2-yl)propyl]thiophene-2-carboxamide

N-[3-(1-pentylbenzimidazol-2-yl)propyl]thiophene-2-carboxamide (PubChem CID 3999689) has the molecular formula C20H25N3OS and a molecular weight of 355.51 g/mol. Its IUPAC name is N-[3-(1-pentylbenzimidazol-2-yl)propyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1-pentylbenzimidazol-2-yl)propyl]thiophene-2-carboxamide
PubChem CID3999689
Molecular FormulaC20H25N3OS
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC NameN-[3-(1-pentylbenzimidazol-2-yl)propyl]thiophene-2-carboxamide
SMILESCCCCCn1c(CCCNC(=O)c2cccs2)nc2ccccc21
InChIInChI=1S/C20H25N3OS/c1-2-3-6-14-23-17-10-5-4-9-16(17)22-19(23)12-7-13-21-20(24)18-11-8-15-25-18/h4-5,8-11,15H,2-3,6-7,12-14H2,1H3,(H,21,24)
InChIKeyDXNVFOKLTUMITE-UHFFFAOYSA-N
XLogP4.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(1-pentylbenzimidazol-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

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-pentylbenzimidazol-2-yl)propyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(1-pentylbenzimidazol-2-yl)propyl]thiophene-2-carboxamide (CID 3999689) is N-[3-(1-pentylbenzimidazol-2-yl)propyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(1-pentylbenzimidazol-2-yl)propyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(1-pentylbenzimidazol-2-yl)propyl]thiophene-2-carboxamide is CCCCCn1c(CCCNC(=O)c2cccs2)nc2ccccc21.
What is the InChIKey of N-[3-(1-pentylbenzimidazol-2-yl)propyl]thiophene-2-carboxamide?
The InChIKey is DXNVFOKLTUMITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3OS/c1-2-3-6-14-23-17-10-5-4-9-16(17)22-19(23)12-7-13-21-20(24)18-11-8-15-25-18/h4-5,8-11,15H,2-3,6-7,12-14H2,1H3,(H,21,24).
What are the key properties of N-[3-(1-pentylbenzimidazol-2-yl)propyl]thiophene-2-carboxamide?
N-[3-(1-pentylbenzimidazol-2-yl)propyl]thiophene-2-carboxamide has a molecular weight of 355.51 g/mol, XLogP of 4.65, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-pentylbenzimidazol-2-yl)propyl]thiophene-2-carboxamide is sourced from PubChem (CID 3999689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).