N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1-benzothiophene-2-carboxamide

C23H24N4O2S — CID 25105692

IUPACN-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc2ccccc2s1
InChIInChI=1S/C23H24N4O2S/c28-22(21-15-16-5-1-4-8-20(16)30-21)24-11-14-26-12-9-17(10-13-26)27-19-7-3-2-6-18(19)25-23(27)29/h1-8,15,17H,9-14H2,(H,24,28)(H,25,29)
InChIKeyNHABJQWMJCBJAR-UHFFFAOYSA-N
MW420.54 g/mol
LogP3.61
Rot. Bonds5

About N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1-benzothiophene-2-carboxamide

N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1-benzothiophene-2-carboxamide (PubChem CID 25105692) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1-benzothiophene-2-carboxamide
PubChem CID25105692
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC NameN-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc2ccccc2s1
InChIInChI=1S/C23H24N4O2S/c28-22(21-15-16-5-1-4-8-20(16)30-21)24-11-14-26-12-9-17(10-13-26)27-19-7-3-2-6-18(19)25-23(27)29/h1-8,15,17H,9-14H2,(H,24,28)(H,25,29)
InChIKeyNHABJQWMJCBJAR-UHFFFAOYSA-N
XLogP3.61
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1-benzothiophene-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-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1-benzothiophene-2-carboxamide (CID 25105692) is N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1-benzothiophene-2-carboxamide is O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc2ccccc2s1.
What is the InChIKey of N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is NHABJQWMJCBJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S/c28-22(21-15-16-5-1-4-8-20(16)30-21)24-11-14-26-12-9-17(10-13-26)27-19-7-3-2-6-18(19)25-23(27)29/h1-8,15,17H,9-14H2,(H,24,28)(H,25,29).
What are the key properties of N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1-benzothiophene-2-carboxamide?
N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 420.54 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 25105692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).