1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-pentyl-4-thiophen-3-ylpyrrole-3-carboxamide

C20H26N4OS — CID 3499453

IUPAC1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-pentyl-4-thiophen-3-ylpyrrole-3-carboxamide
SMILESCCCCCc1c(-c2ccsc2)c(C(N)=O)c(C)n1CCc1cnc[nH]1
InChIInChI=1S/C20H26N4OS/c1-3-4-5-6-17-19(15-8-10-26-12-15)18(20(21)25)14(2)24(17)9-7-16-11-22-13-23-16/h8,10-13H,3-7,9H2,1-2H3,(H2,21,25)(H,22,23)
InChIKeyOMILXGLNTQROFG-UHFFFAOYSA-N
MW370.52 g/mol
LogP4.32
Rot. Bonds9

About 1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-pentyl-4-thiophen-3-ylpyrrole-3-carboxamide

1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-pentyl-4-thiophen-3-ylpyrrole-3-carboxamide (PubChem CID 3499453) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is 1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-pentyl-4-thiophen-3-ylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-pentyl-4-thiophen-3-ylpyrrole-3-carboxamide
PubChem CID3499453
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC Name1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-pentyl-4-thiophen-3-ylpyrrole-3-carboxamide
SMILESCCCCCc1c(-c2ccsc2)c(C(N)=O)c(C)n1CCc1cnc[nH]1
InChIInChI=1S/C20H26N4OS/c1-3-4-5-6-17-19(15-8-10-26-12-15)18(20(21)25)14(2)24(17)9-7-16-11-22-13-23-16/h8,10-13H,3-7,9H2,1-2H3,(H2,21,25)(H,22,23)
InChIKeyOMILXGLNTQROFG-UHFFFAOYSA-N
XLogP4.32
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-pentyl-4-thiophen-3-ylpyrrole-3-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 1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-pentyl-4-thiophen-3-ylpyrrole-3-carboxamide?
The IUPAC name of 1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-pentyl-4-thiophen-3-ylpyrrole-3-carboxamide (CID 3499453) is 1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-pentyl-4-thiophen-3-ylpyrrole-3-carboxamide.
What is the SMILES notation for 1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-pentyl-4-thiophen-3-ylpyrrole-3-carboxamide?
The canonical SMILES for 1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-pentyl-4-thiophen-3-ylpyrrole-3-carboxamide is CCCCCc1c(-c2ccsc2)c(C(N)=O)c(C)n1CCc1cnc[nH]1.
What is the InChIKey of 1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-pentyl-4-thiophen-3-ylpyrrole-3-carboxamide?
The InChIKey is OMILXGLNTQROFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4OS/c1-3-4-5-6-17-19(15-8-10-26-12-15)18(20(21)25)14(2)24(17)9-7-16-11-22-13-23-16/h8,10-13H,3-7,9H2,1-2H3,(H2,21,25)(H,22,23).
What are the key properties of 1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-pentyl-4-thiophen-3-ylpyrrole-3-carboxamide?
1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-pentyl-4-thiophen-3-ylpyrrole-3-carboxamide has a molecular weight of 370.52 g/mol, XLogP of 4.32, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-pentyl-4-thiophen-3-ylpyrrole-3-carboxamide is sourced from PubChem (CID 3499453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).