2-[4-(2-piperidin-1-ylethoxy)phenyl]-3H-benzimidazole-5-carboxamide

C21H24N4O2 — CID 11610261

IUPAC2-[4-(2-piperidin-1-ylethoxy)phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(OCCN4CCCCC4)cc3)[nH]c2c1
InChIInChI=1S/C21H24N4O2/c22-20(26)16-6-9-18-19(14-16)24-21(23-18)15-4-7-17(8-5-15)27-13-12-25-10-2-1-3-11-25/h4-9,14H,1-3,10-13H2,(H2,22,26)(H,23,24)
InChIKeyOVQIYFUAFBWVPV-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.19
Rot. Bonds6

About 2-[4-(2-piperidin-1-ylethoxy)phenyl]-3H-benzimidazole-5-carboxamide

2-[4-(2-piperidin-1-ylethoxy)phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 11610261) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[4-(2-piperidin-1-ylethoxy)phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-(2-piperidin-1-ylethoxy)phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID11610261
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name2-[4-(2-piperidin-1-ylethoxy)phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(OCCN4CCCCC4)cc3)[nH]c2c1
InChIInChI=1S/C21H24N4O2/c22-20(26)16-6-9-18-19(14-16)24-21(23-18)15-4-7-17(8-5-15)27-13-12-25-10-2-1-3-11-25/h4-9,14H,1-3,10-13H2,(H2,22,26)(H,23,24)
InChIKeyOVQIYFUAFBWVPV-UHFFFAOYSA-N
XLogP3.19
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-piperidin-1-ylethoxy)phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-(2-piperidin-1-ylethoxy)phenyl]-3H-benzimidazole-5-carboxamide (CID 11610261) is 2-[4-(2-piperidin-1-ylethoxy)phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-(2-piperidin-1-ylethoxy)phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-(2-piperidin-1-ylethoxy)phenyl]-3H-benzimidazole-5-carboxamide is NC(=O)c1ccc2nc(-c3ccc(OCCN4CCCCC4)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-(2-piperidin-1-ylethoxy)phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is OVQIYFUAFBWVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c22-20(26)16-6-9-18-19(14-16)24-21(23-18)15-4-7-17(8-5-15)27-13-12-25-10-2-1-3-11-25/h4-9,14H,1-3,10-13H2,(H2,22,26)(H,23,24).
What are the key properties of 2-[4-(2-piperidin-1-ylethoxy)phenyl]-3H-benzimidazole-5-carboxamide?
2-[4-(2-piperidin-1-ylethoxy)phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-piperidin-1-ylethoxy)phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 11610261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).