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

C20H30N4O — CID 24746944

IUPAC2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCC(c2nc3cc(C)c(C)cc3[nH]2)CC1
InChIInChI=1S/C20H30N4O/c1-5-24(6-2)19(25)13-23-9-7-16(8-10-23)20-21-17-11-14(3)15(4)12-18(17)22-20/h11-12,16H,5-10,13H2,1-4H3,(H,21,22)
InChIKeyBHVXERHCEQVUGA-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.23
Rot. Bonds5

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

2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N,N-diethylacetamide (PubChem CID 24746944) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N,N-diethylacetamide
PubChem CID24746944
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCC(c2nc3cc(C)c(C)cc3[nH]2)CC1
InChIInChI=1S/C20H30N4O/c1-5-24(6-2)19(25)13-23-9-7-16(8-10-23)20-21-17-11-14(3)15(4)12-18(17)22-20/h11-12,16H,5-10,13H2,1-4H3,(H,21,22)
InChIKeyBHVXERHCEQVUGA-UHFFFAOYSA-N
XLogP3.23
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N,N-diethylacetamide (CID 24746944) is 2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N,N-diethylacetamide is CCN(CC)C(=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,N-diethylacetamide?
The InChIKey is BHVXERHCEQVUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-5-24(6-2)19(25)13-23-9-7-16(8-10-23)20-21-17-11-14(3)15(4)12-18(17)22-20/h11-12,16H,5-10,13H2,1-4H3,(H,21,22).
What are the key properties of 2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N,N-diethylacetamide?
2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N,N-diethylacetamide has a molecular weight of 342.49 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 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,N-diethylacetamide is sourced from PubChem (CID 24746944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).