4-ethenyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide

C23H26N4O2 — CID 25105702

IUPAC4-ethenyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
SMILESC=Cc1ccc(C(=O)NCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1
InChIInChI=1S/C23H26N4O2/c1-2-17-7-9-18(10-8-17)22(28)24-13-16-26-14-11-19(12-15-26)27-21-6-4-3-5-20(21)25-23(27)29/h2-10,19H,1,11-16H2,(H,24,28)(H,25,29)
InChIKeyRXEMEYIKURNJLE-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.04
Rot. Bonds6

About 4-ethenyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide

4-ethenyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide (PubChem CID 25105702) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 4-ethenyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-ethenyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
PubChem CID25105702
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name4-ethenyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
SMILESC=Cc1ccc(C(=O)NCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1
InChIInChI=1S/C23H26N4O2/c1-2-17-7-9-18(10-8-17)22(28)24-13-16-26-14-11-19(12-15-26)27-21-6-4-3-5-20(21)25-23(27)29/h2-10,19H,1,11-16H2,(H,24,28)(H,25,29)
InChIKeyRXEMEYIKURNJLE-UHFFFAOYSA-N
XLogP3.04
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide?
The IUPAC name of 4-ethenyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide (CID 25105702) is 4-ethenyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide.
What is the SMILES notation for 4-ethenyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide?
The canonical SMILES for 4-ethenyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide is C=Cc1ccc(C(=O)NCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1.
What is the InChIKey of 4-ethenyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide?
The InChIKey is RXEMEYIKURNJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-2-17-7-9-18(10-8-17)22(28)24-13-16-26-14-11-19(12-15-26)27-21-6-4-3-5-20(21)25-23(27)29/h2-10,19H,1,11-16H2,(H,24,28)(H,25,29).
What are the key properties of 4-ethenyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide?
4-ethenyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide has a molecular weight of 390.49 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide is sourced from PubChem (CID 25105702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).