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

C21H24N4O — CID 18676129

IUPAC2-[3-(2-piperidin-1-ylethyl)phenyl]-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(-c3cccc(CCN4CCCCC4)c3)nc12
InChIInChI=1S/C21H24N4O/c22-20(26)17-8-5-9-18-19(17)24-21(23-18)16-7-4-6-15(14-16)10-13-25-11-2-1-3-12-25/h4-9,14H,1-3,10-13H2,(H2,22,26)(H,23,24)
InChIKeyGHNKFOFWULNZQP-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.36
Rot. Bonds5

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

2-[3-(2-piperidin-1-ylethyl)phenyl]-1H-benzimidazole-4-carboxamide (PubChem CID 18676129) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-[3-(2-piperidin-1-ylethyl)phenyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[3-(2-piperidin-1-ylethyl)phenyl]-1H-benzimidazole-4-carboxamide
PubChem CID18676129
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name2-[3-(2-piperidin-1-ylethyl)phenyl]-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(-c3cccc(CCN4CCCCC4)c3)nc12
InChIInChI=1S/C21H24N4O/c22-20(26)17-8-5-9-18-19(17)24-21(23-18)16-7-4-6-15(14-16)10-13-25-11-2-1-3-12-25/h4-9,14H,1-3,10-13H2,(H2,22,26)(H,23,24)
InChIKeyGHNKFOFWULNZQP-UHFFFAOYSA-N
XLogP3.36
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-piperidin-1-ylethyl)phenyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[3-(2-piperidin-1-ylethyl)phenyl]-1H-benzimidazole-4-carboxamide (CID 18676129) is 2-[3-(2-piperidin-1-ylethyl)phenyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[3-(2-piperidin-1-ylethyl)phenyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[3-(2-piperidin-1-ylethyl)phenyl]-1H-benzimidazole-4-carboxamide is NC(=O)c1cccc2[nH]c(-c3cccc(CCN4CCCCC4)c3)nc12.
What is the InChIKey of 2-[3-(2-piperidin-1-ylethyl)phenyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is GHNKFOFWULNZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c22-20(26)17-8-5-9-18-19(17)24-21(23-18)16-7-4-6-15(14-16)10-13-25-11-2-1-3-12-25/h4-9,14H,1-3,10-13H2,(H2,22,26)(H,23,24).
What are the key properties of 2-[3-(2-piperidin-1-ylethyl)phenyl]-1H-benzimidazole-4-carboxamide?
2-[3-(2-piperidin-1-ylethyl)phenyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-piperidin-1-ylethyl)phenyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 18676129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).