2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-prop-2-enylacetamide

C19H26N4O — CID 24761073

IUPAC2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCC(c2nc3cc(C)c(C)cc3[nH]2)CC1
InChIInChI=1S/C19H26N4O/c1-4-7-20-18(24)12-23-8-5-15(6-9-23)19-21-16-10-13(2)14(3)11-17(16)22-19/h4,10-11,15H,1,5-9,12H2,2-3H3,(H,20,24)(H,21,22)
InChIKeyKNDBTAYNKFITSD-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.66
Rot. Bonds5

About 2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-prop-2-enylacetamide

2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-prop-2-enylacetamide (PubChem CID 24761073) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-prop-2-enylacetamide
PubChem CID24761073
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCC(c2nc3cc(C)c(C)cc3[nH]2)CC1
InChIInChI=1S/C19H26N4O/c1-4-7-20-18(24)12-23-8-5-15(6-9-23)19-21-16-10-13(2)14(3)11-17(16)22-19/h4,10-11,15H,1,5-9,12H2,2-3H3,(H,20,24)(H,21,22)
InChIKeyKNDBTAYNKFITSD-UHFFFAOYSA-N
XLogP2.66
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-prop-2-enylacetamide 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 2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-prop-2-enylacetamide (CID 24761073) is 2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-prop-2-enylacetamide is C=CCNC(=O)CN1CCC(c2nc3cc(C)c(C)cc3[nH]2)CC1.
What is the InChIKey of 2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-prop-2-enylacetamide?
The InChIKey is KNDBTAYNKFITSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-4-7-20-18(24)12-23-8-5-15(6-9-23)19-21-16-10-13(2)14(3)11-17(16)22-19/h4,10-11,15H,1,5-9,12H2,2-3H3,(H,20,24)(H,21,22).
What are the key properties of 2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-prop-2-enylacetamide?
2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-prop-2-enylacetamide has a molecular weight of 326.44 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 24761073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).