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

C20H21N3OS — CID 35348941

IUPAC1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylsulfanylethanone
SMILESO=C(CSc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C20H21N3OS/c24-19(14-25-16-6-2-1-3-7-16)23-12-10-15(11-13-23)20-21-17-8-4-5-9-18(17)22-20/h1-9,15H,10-14H2,(H,21,22)
InChIKeyDTFWTKYEFSQKGJ-UHFFFAOYSA-N
MW351.47 g/mol
LogP4.06
Rot. Bonds4

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

1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylsulfanylethanone (PubChem CID 35348941) has the molecular formula C20H21N3OS and a molecular weight of 351.47 g/mol. Its IUPAC name is 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylsulfanylethanone.

Molecular Properties

Compound Name1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylsulfanylethanone
PubChem CID35348941
Molecular FormulaC20H21N3OS
Molecular Weight351.47 g/mol
Exact Mass351.14
IUPAC Name1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylsulfanylethanone
SMILESO=C(CSc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C20H21N3OS/c24-19(14-25-16-6-2-1-3-7-16)23-12-10-15(11-13-23)20-21-17-8-4-5-9-18(17)22-20/h1-9,15H,10-14H2,(H,21,22)
InChIKeyDTFWTKYEFSQKGJ-UHFFFAOYSA-N
XLogP4.06
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 35348246
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenoxyethanone
CID 33117061
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-cyclopentylpropan-1-one
CID 33117135
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]octadecan-1-one
CID 108739547
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(4-chlorophenyl)ethanone
CID 29128735
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-cyclohexyloxyethanone
CID 56814068
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-naphthalen-2-ylpropan-1-one
CID 60523367
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperazin-1-ylmethanone
CID 142409937
3-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 33114517
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-[(2S)-oxolan-2-yl]propan-1-one
CID 94093377
2-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 35348582
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(3-bromo-2-fluorophenyl)ethanone
CID 146022591

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylsulfanylethanone?
The IUPAC name of 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylsulfanylethanone (CID 35348941) is 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylsulfanylethanone.
What is the SMILES notation for 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylsulfanylethanone?
The canonical SMILES for 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylsulfanylethanone is O=C(CSc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylsulfanylethanone?
The InChIKey is DTFWTKYEFSQKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c24-19(14-25-16-6-2-1-3-7-16)23-12-10-15(11-13-23)20-21-17-8-4-5-9-18(17)22-20/h1-9,15H,10-14H2,(H,21,22).
What are the key properties of 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylsulfanylethanone?
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylsulfanylethanone has a molecular weight of 351.47 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylsulfanylethanone is sourced from PubChem (CID 35348941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).