N-(benzimidazol-1-yl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide

C18H16N4OS — CID 24669676

IUPACN-(benzimidazol-1-yl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide
SMILESCc1sc(-n2cccc2)c(C(=O)Nn2cnc3ccccc32)c1C
InChIInChI=1S/C18H16N4OS/c1-12-13(2)24-18(21-9-5-6-10-21)16(12)17(23)20-22-11-19-14-7-3-4-8-15(14)22/h3-11H,1-2H3,(H,20,23)
InChIKeyRWZXLPPPWOHCOD-UHFFFAOYSA-N
MW336.42 g/mol
LogP3.89
Rot. Bonds3

About N-(benzimidazol-1-yl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide

N-(benzimidazol-1-yl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide (PubChem CID 24669676) has the molecular formula C18H16N4OS and a molecular weight of 336.42 g/mol. Its IUPAC name is N-(benzimidazol-1-yl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(benzimidazol-1-yl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide
PubChem CID24669676
Molecular FormulaC18H16N4OS
Molecular Weight336.42 g/mol
Exact Mass336.10
IUPAC NameN-(benzimidazol-1-yl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide
SMILESCc1sc(-n2cccc2)c(C(=O)Nn2cnc3ccccc32)c1C
InChIInChI=1S/C18H16N4OS/c1-12-13(2)24-18(21-9-5-6-10-21)16(12)17(23)20-22-11-19-14-7-3-4-8-15(14)22/h3-11H,1-2H3,(H,20,23)
InChIKeyRWZXLPPPWOHCOD-UHFFFAOYSA-N
XLogP3.89
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(benzimidazol-1-yl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-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 N-(benzimidazol-1-yl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide?
The IUPAC name of N-(benzimidazol-1-yl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide (CID 24669676) is N-(benzimidazol-1-yl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide.
What is the SMILES notation for N-(benzimidazol-1-yl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide?
The canonical SMILES for N-(benzimidazol-1-yl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide is Cc1sc(-n2cccc2)c(C(=O)Nn2cnc3ccccc32)c1C.
What is the InChIKey of N-(benzimidazol-1-yl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide?
The InChIKey is RWZXLPPPWOHCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4OS/c1-12-13(2)24-18(21-9-5-6-10-21)16(12)17(23)20-22-11-19-14-7-3-4-8-15(14)22/h3-11H,1-2H3,(H,20,23).
What are the key properties of N-(benzimidazol-1-yl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide?
N-(benzimidazol-1-yl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide has a molecular weight of 336.42 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzimidazol-1-yl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide is sourced from PubChem (CID 24669676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).