1-piperidin-1-yl-2-(2-sulfanylidene-3H-benzimidazol-1-yl)ethanone

C14H17N3OS — CID 18524181

IUPAC1-piperidin-1-yl-2-(2-sulfanylidene-3H-benzimidazol-1-yl)ethanone
SMILESO=C(Cn1c(=S)[nH]c2ccccc21)N1CCCCC1
InChIInChI=1S/C14H17N3OS/c18-13(16-8-4-1-5-9-16)10-17-12-7-3-2-6-11(12)15-14(17)19/h2-3,6-7H,1,4-5,8-10H2,(H,15,19)
InChIKeyJHHBROFNWFIUJA-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.71
Rot. Bonds2

About 1-piperidin-1-yl-2-(2-sulfanylidene-3H-benzimidazol-1-yl)ethanone

1-piperidin-1-yl-2-(2-sulfanylidene-3H-benzimidazol-1-yl)ethanone (PubChem CID 18524181) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-(2-sulfanylidene-3H-benzimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-(2-sulfanylidene-3H-benzimidazol-1-yl)ethanone
PubChem CID18524181
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name1-piperidin-1-yl-2-(2-sulfanylidene-3H-benzimidazol-1-yl)ethanone
SMILESO=C(Cn1c(=S)[nH]c2ccccc21)N1CCCCC1
InChIInChI=1S/C14H17N3OS/c18-13(16-8-4-1-5-9-16)10-17-12-7-3-2-6-11(12)15-14(17)19/h2-3,6-7H,1,4-5,8-10H2,(H,15,19)
InChIKeyJHHBROFNWFIUJA-UHFFFAOYSA-N
XLogP2.71
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1,3-Dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-one
CID 88638
1-Ebio
CID 82320
1,3-dihydro-1-(1,2,3,6-tetrahydro-4-pyridinyl)-2H-benzimidazol-2-one
CID 75070
Phenylthiohydantoin
CID 700731
1-propyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 1527023
1-Ethyl-1H-benzimidazole-2-thiol
CID 755555
1-(Propan-2-yl)-1,3-dihydro-2H-benzimidazol-2-one
CID 1653580
1-[4-(4-phenylpiperazin-1-yl)butyl]-1H-benzo[d]imidazol-2(3H)-one
CID 23369455
1-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzo[d]imidazol-2(3H)-one
CID 23369457
1,3-Dihydro-1-(3-methylbutyl)-2H-benzimidazol-2-one
CID 709667
5-Methyl-3-phenyl-2-thioxoimidazolidin-4-one
CID 2872314
1-(propan-2-yl)-1H-1,3-benzodiazole-2-thiol
CID 720070

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-(2-sulfanylidene-3H-benzimidazol-1-yl)ethanone?
The IUPAC name of 1-piperidin-1-yl-2-(2-sulfanylidene-3H-benzimidazol-1-yl)ethanone (CID 18524181) is 1-piperidin-1-yl-2-(2-sulfanylidene-3H-benzimidazol-1-yl)ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-(2-sulfanylidene-3H-benzimidazol-1-yl)ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-(2-sulfanylidene-3H-benzimidazol-1-yl)ethanone is O=C(Cn1c(=S)[nH]c2ccccc21)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-(2-sulfanylidene-3H-benzimidazol-1-yl)ethanone?
The InChIKey is JHHBROFNWFIUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c18-13(16-8-4-1-5-9-16)10-17-12-7-3-2-6-11(12)15-14(17)19/h2-3,6-7H,1,4-5,8-10H2,(H,15,19).
What are the key properties of 1-piperidin-1-yl-2-(2-sulfanylidene-3H-benzimidazol-1-yl)ethanone?
1-piperidin-1-yl-2-(2-sulfanylidene-3H-benzimidazol-1-yl)ethanone has a molecular weight of 275.38 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-(2-sulfanylidene-3H-benzimidazol-1-yl)ethanone is sourced from PubChem (CID 18524181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).