3-methyl-N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]butanamide

C20H30N4O — CID 4907771

IUPAC3-methyl-N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]butanamide
SMILESCC(C)CC(=O)Nc1ccc2c(c1)nc(CCN1CCCCC1)n2C
InChIInChI=1S/C20H30N4O/c1-15(2)13-20(25)21-16-7-8-18-17(14-16)22-19(23(18)3)9-12-24-10-5-4-6-11-24/h7-8,14-15H,4-6,9-13H2,1-3H3,(H,21,25)
InChIKeyVGIWXESXHKNUCY-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.59
Rot. Bonds6

About 3-methyl-N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]butanamide

3-methyl-N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]butanamide (PubChem CID 4907771) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 3-methyl-N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]butanamide
PubChem CID4907771
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name3-methyl-N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]butanamide
SMILESCC(C)CC(=O)Nc1ccc2c(c1)nc(CCN1CCCCC1)n2C
InChIInChI=1S/C20H30N4O/c1-15(2)13-20(25)21-16-7-8-18-17(14-16)22-19(23(18)3)9-12-24-10-5-4-6-11-24/h7-8,14-15H,4-6,9-13H2,1-3H3,(H,21,25)
InChIKeyVGIWXESXHKNUCY-UHFFFAOYSA-N
XLogP3.59
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]butanamide 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 3-methyl-N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]butanamide?
The IUPAC name of 3-methyl-N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]butanamide (CID 4907771) is 3-methyl-N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]butanamide.
What is the SMILES notation for 3-methyl-N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]butanamide?
The canonical SMILES for 3-methyl-N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]butanamide is CC(C)CC(=O)Nc1ccc2c(c1)nc(CCN1CCCCC1)n2C.
What is the InChIKey of 3-methyl-N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]butanamide?
The InChIKey is VGIWXESXHKNUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-15(2)13-20(25)21-16-7-8-18-17(14-16)22-19(23(18)3)9-12-24-10-5-4-6-11-24/h7-8,14-15H,4-6,9-13H2,1-3H3,(H,21,25).
What are the key properties of 3-methyl-N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]butanamide?
3-methyl-N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]butanamide has a molecular weight of 342.49 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]butanamide is sourced from PubChem (CID 4907771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).