1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylethanone

C20H21N3O — CID 645266

IUPAC1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C20H21N3O/c24-19(14-15-6-2-1-3-7-15)23-12-10-16(11-13-23)20-21-17-8-4-5-9-18(17)22-20/h1-9,16H,10-14H2,(H,21,22)
InChIKeyZHTYCROTRDJXNO-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.51
Rot. Bonds3

About 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylethanone

1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylethanone (PubChem CID 645266) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylethanone
PubChem CID645266
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C20H21N3O/c24-19(14-15-6-2-1-3-7-15)23-12-10-16(11-13-23)20-21-17-8-4-5-9-18(17)22-20/h1-9,16H,10-14H2,(H,21,22)
InChIKeyZHTYCROTRDJXNO-UHFFFAOYSA-N
XLogP3.51
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylethanone (CID 645266) is 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylethanone is O=C(Cc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylethanone?
The InChIKey is ZHTYCROTRDJXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c24-19(14-15-6-2-1-3-7-15)23-12-10-16(11-13-23)20-21-17-8-4-5-9-18(17)22-20/h1-9,16H,10-14H2,(H,21,22).
What are the key properties of 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylethanone?
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylethanone has a molecular weight of 319.41 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 645266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).