N-(6-benzoyl-1H-benzimidazol-2-yl)-2-piperidin-4-ylacetamide

C21H22N4O2 — CID 66552651

IUPACN-(6-benzoyl-1H-benzimidazol-2-yl)-2-piperidin-4-ylacetamide
SMILESO=C(CC1CCNCC1)Nc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1
InChIInChI=1S/C21H22N4O2/c26-19(12-14-8-10-22-11-9-14)25-21-23-17-7-6-16(13-18(17)24-21)20(27)15-4-2-1-3-5-15/h1-7,13-14,22H,8-12H2,(H2,23,24,25,26)
InChIKeyLLTWNELXMPLGRY-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.12
Rot. Bonds5

About N-(6-benzoyl-1H-benzimidazol-2-yl)-2-piperidin-4-ylacetamide

N-(6-benzoyl-1H-benzimidazol-2-yl)-2-piperidin-4-ylacetamide (PubChem CID 66552651) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(6-benzoyl-1H-benzimidazol-2-yl)-2-piperidin-4-ylacetamide.

Molecular Properties

Compound NameN-(6-benzoyl-1H-benzimidazol-2-yl)-2-piperidin-4-ylacetamide
PubChem CID66552651
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-(6-benzoyl-1H-benzimidazol-2-yl)-2-piperidin-4-ylacetamide
SMILESO=C(CC1CCNCC1)Nc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1
InChIInChI=1S/C21H22N4O2/c26-19(12-14-8-10-22-11-9-14)25-21-23-17-7-6-16(13-18(17)24-21)20(27)15-4-2-1-3-5-15/h1-7,13-14,22H,8-12H2,(H2,23,24,25,26)
InChIKeyLLTWNELXMPLGRY-UHFFFAOYSA-N
XLogP3.12
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-benzoyl-1H-benzimidazol-2-yl)-2-piperidin-4-ylacetamide?
The IUPAC name of N-(6-benzoyl-1H-benzimidazol-2-yl)-2-piperidin-4-ylacetamide (CID 66552651) is N-(6-benzoyl-1H-benzimidazol-2-yl)-2-piperidin-4-ylacetamide.
What is the SMILES notation for N-(6-benzoyl-1H-benzimidazol-2-yl)-2-piperidin-4-ylacetamide?
The canonical SMILES for N-(6-benzoyl-1H-benzimidazol-2-yl)-2-piperidin-4-ylacetamide is O=C(CC1CCNCC1)Nc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1.
What is the InChIKey of N-(6-benzoyl-1H-benzimidazol-2-yl)-2-piperidin-4-ylacetamide?
The InChIKey is LLTWNELXMPLGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c26-19(12-14-8-10-22-11-9-14)25-21-23-17-7-6-16(13-18(17)24-21)20(27)15-4-2-1-3-5-15/h1-7,13-14,22H,8-12H2,(H2,23,24,25,26).
What are the key properties of N-(6-benzoyl-1H-benzimidazol-2-yl)-2-piperidin-4-ylacetamide?
N-(6-benzoyl-1H-benzimidazol-2-yl)-2-piperidin-4-ylacetamide has a molecular weight of 362.43 g/mol, XLogP of 3.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-benzoyl-1H-benzimidazol-2-yl)-2-piperidin-4-ylacetamide is sourced from PubChem (CID 66552651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).