2,5-dimethyl-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]furan-3-carboxamide

C21H26N4O2 — CID 35524627

IUPAC2,5-dimethyl-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]furan-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc3ccccc3n2CCN2CCCCC2)c(C)o1
InChIInChI=1S/C21H26N4O2/c1-15-14-17(16(2)27-15)20(26)23-21-22-18-8-4-5-9-19(18)25(21)13-12-24-10-6-3-7-11-24/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3,(H,22,23,26)
InChIKeyIDIKFOWJSSNACS-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.98
Rot. Bonds5

About 2,5-dimethyl-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]furan-3-carboxamide

2,5-dimethyl-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]furan-3-carboxamide (PubChem CID 35524627) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2,5-dimethyl-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]furan-3-carboxamide
PubChem CID35524627
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name2,5-dimethyl-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]furan-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc3ccccc3n2CCN2CCCCC2)c(C)o1
InChIInChI=1S/C21H26N4O2/c1-15-14-17(16(2)27-15)20(26)23-21-22-18-8-4-5-9-19(18)25(21)13-12-24-10-6-3-7-11-24/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3,(H,22,23,26)
InChIKeyIDIKFOWJSSNACS-UHFFFAOYSA-N
XLogP3.98
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]furan-3-carboxamide (CID 35524627) is 2,5-dimethyl-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]furan-3-carboxamide is Cc1cc(C(=O)Nc2nc3ccccc3n2CCN2CCCCC2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]furan-3-carboxamide?
The InChIKey is IDIKFOWJSSNACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-15-14-17(16(2)27-15)20(26)23-21-22-18-8-4-5-9-19(18)25(21)13-12-24-10-6-3-7-11-24/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3,(H,22,23,26).
What are the key properties of 2,5-dimethyl-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]furan-3-carboxamide?
2,5-dimethyl-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]furan-3-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]furan-3-carboxamide is sourced from PubChem (CID 35524627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).