2-methyl-N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]propanamide

C20H30N4O — CID 4889330

IUPAC2-methyl-N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]propanamide
SMILESCC1CCN(CCc2nc3cc(NC(=O)C(C)C)ccc3n2C)CC1
InChIInChI=1S/C20H30N4O/c1-14(2)20(25)21-16-5-6-18-17(13-16)22-19(23(18)4)9-12-24-10-7-15(3)8-11-24/h5-6,13-15H,7-12H2,1-4H3,(H,21,25)
InChIKeyUUMFFEDYWUROKD-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.44
Rot. Bonds5

About 2-methyl-N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]propanamide

2-methyl-N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]propanamide (PubChem CID 4889330) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 2-methyl-N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]propanamide
PubChem CID4889330
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name2-methyl-N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]propanamide
SMILESCC1CCN(CCc2nc3cc(NC(=O)C(C)C)ccc3n2C)CC1
InChIInChI=1S/C20H30N4O/c1-14(2)20(25)21-16-5-6-18-17(13-16)22-19(23(18)4)9-12-24-10-7-15(3)8-11-24/h5-6,13-15H,7-12H2,1-4H3,(H,21,25)
InChIKeyUUMFFEDYWUROKD-UHFFFAOYSA-N
XLogP3.44
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]propanamide?
The IUPAC name of 2-methyl-N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]propanamide (CID 4889330) is 2-methyl-N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]propanamide?
The canonical SMILES for 2-methyl-N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]propanamide is CC1CCN(CCc2nc3cc(NC(=O)C(C)C)ccc3n2C)CC1.
What is the InChIKey of 2-methyl-N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]propanamide?
The InChIKey is UUMFFEDYWUROKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-14(2)20(25)21-16-5-6-18-17(13-16)22-19(23(18)4)9-12-24-10-7-15(3)8-11-24/h5-6,13-15H,7-12H2,1-4H3,(H,21,25).
What are the key properties of 2-methyl-N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]propanamide?
2-methyl-N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]propanamide has a molecular weight of 342.49 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]propanamide is sourced from PubChem (CID 4889330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).