2-[4-[2-(1-acetylpiperidin-4-yl)ethoxy]phenyl]-3H-benzimidazole-5-carboxamide

C23H26N4O3 — CID 11654372

IUPAC2-[4-[2-(1-acetylpiperidin-4-yl)ethoxy]phenyl]-3H-benzimidazole-5-carboxamide
SMILESCC(=O)N1CCC(CCOc2ccc(-c3nc4ccc(C(N)=O)cc4[nH]3)cc2)CC1
InChIInChI=1S/C23H26N4O3/c1-15(28)27-11-8-16(9-12-27)10-13-30-19-5-2-17(3-6-19)23-25-20-7-4-18(22(24)29)14-21(20)26-23/h2-7,14,16H,8-13H2,1H3,(H2,24,29)(H,25,26)
InChIKeyOPPSWUZIUZOJLB-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.36
Rot. Bonds6

About 2-[4-[2-(1-acetylpiperidin-4-yl)ethoxy]phenyl]-3H-benzimidazole-5-carboxamide

2-[4-[2-(1-acetylpiperidin-4-yl)ethoxy]phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 11654372) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-[4-[2-(1-acetylpiperidin-4-yl)ethoxy]phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[2-(1-acetylpiperidin-4-yl)ethoxy]phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID11654372
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name2-[4-[2-(1-acetylpiperidin-4-yl)ethoxy]phenyl]-3H-benzimidazole-5-carboxamide
SMILESCC(=O)N1CCC(CCOc2ccc(-c3nc4ccc(C(N)=O)cc4[nH]3)cc2)CC1
InChIInChI=1S/C23H26N4O3/c1-15(28)27-11-8-16(9-12-27)10-13-30-19-5-2-17(3-6-19)23-25-20-7-4-18(22(24)29)14-21(20)26-23/h2-7,14,16H,8-13H2,1H3,(H2,24,29)(H,25,26)
InChIKeyOPPSWUZIUZOJLB-UHFFFAOYSA-N
XLogP3.36
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(1-acetylpiperidin-4-yl)ethoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-[2-(1-acetylpiperidin-4-yl)ethoxy]phenyl]-3H-benzimidazole-5-carboxamide (CID 11654372) is 2-[4-[2-(1-acetylpiperidin-4-yl)ethoxy]phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-[2-(1-acetylpiperidin-4-yl)ethoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-[2-(1-acetylpiperidin-4-yl)ethoxy]phenyl]-3H-benzimidazole-5-carboxamide is CC(=O)N1CCC(CCOc2ccc(-c3nc4ccc(C(N)=O)cc4[nH]3)cc2)CC1.
What is the InChIKey of 2-[4-[2-(1-acetylpiperidin-4-yl)ethoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is OPPSWUZIUZOJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-15(28)27-11-8-16(9-12-27)10-13-30-19-5-2-17(3-6-19)23-25-20-7-4-18(22(24)29)14-21(20)26-23/h2-7,14,16H,8-13H2,1H3,(H2,24,29)(H,25,26).
What are the key properties of 2-[4-[2-(1-acetylpiperidin-4-yl)ethoxy]phenyl]-3H-benzimidazole-5-carboxamide?
2-[4-[2-(1-acetylpiperidin-4-yl)ethoxy]phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(1-acetylpiperidin-4-yl)ethoxy]phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 11654372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).