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

C23H26N4O3 — CID 11495159

IUPAC2-[4-[2-(1-acetylpiperidin-2-yl)ethoxy]phenyl]-3H-benzimidazole-5-carboxamide
SMILESCC(=O)N1CCCCC1CCOc1ccc(-c2nc3ccc(C(N)=O)cc3[nH]2)cc1
InChIInChI=1S/C23H26N4O3/c1-15(28)27-12-3-2-4-18(27)11-13-30-19-8-5-16(6-9-19)23-25-20-10-7-17(22(24)29)14-21(20)26-23/h5-10,14,18H,2-4,11-13H2,1H3,(H2,24,29)(H,25,26)
InChIKeyMKLRPDMVZXYKAP-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.50
Rot. Bonds6

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

2-[4-[2-(1-acetylpiperidin-2-yl)ethoxy]phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 11495159) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-[4-[2-(1-acetylpiperidin-2-yl)ethoxy]phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[2-(1-acetylpiperidin-2-yl)ethoxy]phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID11495159
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name2-[4-[2-(1-acetylpiperidin-2-yl)ethoxy]phenyl]-3H-benzimidazole-5-carboxamide
SMILESCC(=O)N1CCCCC1CCOc1ccc(-c2nc3ccc(C(N)=O)cc3[nH]2)cc1
InChIInChI=1S/C23H26N4O3/c1-15(28)27-12-3-2-4-18(27)11-13-30-19-8-5-16(6-9-19)23-25-20-10-7-17(22(24)29)14-21(20)26-23/h5-10,14,18H,2-4,11-13H2,1H3,(H2,24,29)(H,25,26)
InChIKeyMKLRPDMVZXYKAP-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
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-2-yl)ethoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-[2-(1-acetylpiperidin-2-yl)ethoxy]phenyl]-3H-benzimidazole-5-carboxamide (CID 11495159) is 2-[4-[2-(1-acetylpiperidin-2-yl)ethoxy]phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-[2-(1-acetylpiperidin-2-yl)ethoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-[2-(1-acetylpiperidin-2-yl)ethoxy]phenyl]-3H-benzimidazole-5-carboxamide is CC(=O)N1CCCCC1CCOc1ccc(-c2nc3ccc(C(N)=O)cc3[nH]2)cc1.
What is the InChIKey of 2-[4-[2-(1-acetylpiperidin-2-yl)ethoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is MKLRPDMVZXYKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-15(28)27-12-3-2-4-18(27)11-13-30-19-8-5-16(6-9-19)23-25-20-10-7-17(22(24)29)14-21(20)26-23/h5-10,14,18H,2-4,11-13H2,1H3,(H2,24,29)(H,25,26).
What are the key properties of 2-[4-[2-(1-acetylpiperidin-2-yl)ethoxy]phenyl]-3H-benzimidazole-5-carboxamide?
2-[4-[2-(1-acetylpiperidin-2-yl)ethoxy]phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.50, 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-2-yl)ethoxy]phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 11495159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).