N-[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-1-methylpiperidine-4-carboxamide

C24H24N4OS — CID 44523627

IUPACN-[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2ccc(-c3ccc(-c4nc5ccccc5[nH]4)s3)cc2)CC1
InChIInChI=1S/C24H24N4OS/c1-28-14-12-17(13-15-28)24(29)25-18-8-6-16(7-9-18)21-10-11-22(30-21)23-26-19-4-2-3-5-20(19)27-23/h2-11,17H,12-15H2,1H3,(H,25,29)(H,26,27)
InChIKeyVZSIBJBPHRLKCZ-UHFFFAOYSA-N
MW416.55 g/mol
LogP5.24
Rot. Bonds4

About N-[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-1-methylpiperidine-4-carboxamide

N-[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-1-methylpiperidine-4-carboxamide (PubChem CID 44523627) has the molecular formula C24H24N4OS and a molecular weight of 416.55 g/mol. Its IUPAC name is N-[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-1-methylpiperidine-4-carboxamide
PubChem CID44523627
Molecular FormulaC24H24N4OS
Molecular Weight416.55 g/mol
Exact Mass416.17
IUPAC NameN-[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2ccc(-c3ccc(-c4nc5ccccc5[nH]4)s3)cc2)CC1
InChIInChI=1S/C24H24N4OS/c1-28-14-12-17(13-15-28)24(29)25-18-8-6-16(7-9-18)21-10-11-22(30-21)23-26-19-4-2-3-5-20(19)27-23/h2-11,17H,12-15H2,1H3,(H,25,29)(H,26,27)
InChIKeyVZSIBJBPHRLKCZ-UHFFFAOYSA-N
XLogP5.24
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.55
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-1-methylpiperidine-4-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-[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-1-methylpiperidine-4-carboxamide (CID 44523627) is N-[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-1-methylpiperidine-4-carboxamide is CN1CCC(C(=O)Nc2ccc(-c3ccc(-c4nc5ccccc5[nH]4)s3)cc2)CC1.
What is the InChIKey of N-[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-1-methylpiperidine-4-carboxamide?
The InChIKey is VZSIBJBPHRLKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4OS/c1-28-14-12-17(13-15-28)24(29)25-18-8-6-16(7-9-18)21-10-11-22(30-21)23-26-19-4-2-3-5-20(19)27-23/h2-11,17H,12-15H2,1H3,(H,25,29)(H,26,27).
What are the key properties of N-[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-1-methylpiperidine-4-carboxamide?
N-[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-1-methylpiperidine-4-carboxamide has a molecular weight of 416.55 g/mol, XLogP of 5.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 44523627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).