N-[4-(diethylcarbamoyl)phenyl]-2-methyl-3-piperidin-4-ylbenzimidazole-5-carboxamide

C25H31N5O2 — CID 70964094

IUPACN-[4-(diethylcarbamoyl)phenyl]-2-methyl-3-piperidin-4-ylbenzimidazole-5-carboxamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2ccc3nc(C)n(C4CCNCC4)c3c2)cc1
InChIInChI=1S/C25H31N5O2/c1-4-29(5-2)25(32)18-6-9-20(10-7-18)28-24(31)19-8-11-22-23(16-19)30(17(3)27-22)21-12-14-26-15-13-21/h6-11,16,21,26H,4-5,12-15H2,1-3H3,(H,28,31)
InChIKeyFDWFBJLITJHZCZ-UHFFFAOYSA-N
MW433.56 g/mol
LogP4.00
Rot. Bonds6

About N-[4-(diethylcarbamoyl)phenyl]-2-methyl-3-piperidin-4-ylbenzimidazole-5-carboxamide

N-[4-(diethylcarbamoyl)phenyl]-2-methyl-3-piperidin-4-ylbenzimidazole-5-carboxamide (PubChem CID 70964094) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is N-[4-(diethylcarbamoyl)phenyl]-2-methyl-3-piperidin-4-ylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylcarbamoyl)phenyl]-2-methyl-3-piperidin-4-ylbenzimidazole-5-carboxamide
PubChem CID70964094
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC NameN-[4-(diethylcarbamoyl)phenyl]-2-methyl-3-piperidin-4-ylbenzimidazole-5-carboxamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2ccc3nc(C)n(C4CCNCC4)c3c2)cc1
InChIInChI=1S/C25H31N5O2/c1-4-29(5-2)25(32)18-6-9-20(10-7-18)28-24(31)19-8-11-22-23(16-19)30(17(3)27-22)21-12-14-26-15-13-21/h6-11,16,21,26H,4-5,12-15H2,1-3H3,(H,28,31)
InChIKeyFDWFBJLITJHZCZ-UHFFFAOYSA-N
XLogP4.00
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(diethylcarbamoyl)phenyl]-2-methyl-3-piperidin-4-ylbenzimidazole-5-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-(diethylcarbamoyl)phenyl]-2-methyl-3-piperidin-4-ylbenzimidazole-5-carboxamide?
The IUPAC name of N-[4-(diethylcarbamoyl)phenyl]-2-methyl-3-piperidin-4-ylbenzimidazole-5-carboxamide (CID 70964094) is N-[4-(diethylcarbamoyl)phenyl]-2-methyl-3-piperidin-4-ylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-[4-(diethylcarbamoyl)phenyl]-2-methyl-3-piperidin-4-ylbenzimidazole-5-carboxamide?
The canonical SMILES for N-[4-(diethylcarbamoyl)phenyl]-2-methyl-3-piperidin-4-ylbenzimidazole-5-carboxamide is CCN(CC)C(=O)c1ccc(NC(=O)c2ccc3nc(C)n(C4CCNCC4)c3c2)cc1.
What is the InChIKey of N-[4-(diethylcarbamoyl)phenyl]-2-methyl-3-piperidin-4-ylbenzimidazole-5-carboxamide?
The InChIKey is FDWFBJLITJHZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-4-29(5-2)25(32)18-6-9-20(10-7-18)28-24(31)19-8-11-22-23(16-19)30(17(3)27-22)21-12-14-26-15-13-21/h6-11,16,21,26H,4-5,12-15H2,1-3H3,(H,28,31).
What are the key properties of N-[4-(diethylcarbamoyl)phenyl]-2-methyl-3-piperidin-4-ylbenzimidazole-5-carboxamide?
N-[4-(diethylcarbamoyl)phenyl]-2-methyl-3-piperidin-4-ylbenzimidazole-5-carboxamide has a molecular weight of 433.56 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylcarbamoyl)phenyl]-2-methyl-3-piperidin-4-ylbenzimidazole-5-carboxamide is sourced from PubChem (CID 70964094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).