N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2-phenylsulfanylacetamide

C22H26N4O2S — CID 25105708

IUPACN-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C22H26N4O2S/c27-21(16-29-18-6-2-1-3-7-18)23-12-15-25-13-10-17(11-14-25)26-20-9-5-4-8-19(20)24-22(26)28/h1-9,17H,10-16H2,(H,23,27)(H,24,28)
InChIKeyDBVPQUXUULCVDM-UHFFFAOYSA-N
MW410.54 g/mol
LogP2.88
Rot. Bonds7

About N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2-phenylsulfanylacetamide

N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2-phenylsulfanylacetamide (PubChem CID 25105708) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2-phenylsulfanylacetamide
PubChem CID25105708
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC NameN-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C22H26N4O2S/c27-21(16-29-18-6-2-1-3-7-18)23-12-15-25-13-10-17(11-14-25)26-20-9-5-4-8-19(20)24-22(26)28/h1-9,17H,10-16H2,(H,23,27)(H,24,28)
InChIKeyDBVPQUXUULCVDM-UHFFFAOYSA-N
XLogP2.88
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Benzimidazolone scaffold, 15c
CID 42618263
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2-(phenylsulfanyl)acetamide
CID 6461251
1-(1-(1-(thiophen-3-ylmethyl)piperidine-4-carbonyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
CID 49865283
3-[3-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]propyl]-1H-benzimidazol-2-one
CID 2088593
N-cyclohexyl[4-(2-oxo(3-hydrobenzimidazolyl))piperidyl]carboxamide
CID 5307696
1-Phenyl-3-(1-(4-phenylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)urea
CID 16187049
N-(2-(4-(2-oxo-2,3-dihydrobenzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)thiophene-3-carboxamide
CID 44438308
2-(3-(1-cyclohexylpiperidin-4-yl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-N-methylacetamide
CID 46879993
1-(1-(2-(2-oxopyridin-1(2H)-yl)ethyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
CID 166626309
[4-(2-oxo(3-hydrobenzimidazolyl))piperidyl]-N-benzamide
CID 6625442
2-Benzimidazolinone, 1-(1-(3-phenylsulfonylpropyl)-4-piperidyl)-
CID 424755
2H-Benzimidazol-2-one, 1,3-dihydro-1-(3-(4-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)-1-piperidinyl)propyl)-
CID 3046832

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2-phenylsulfanylacetamide (CID 25105708) is N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2-phenylsulfanylacetamide?
The InChIKey is DBVPQUXUULCVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c27-21(16-29-18-6-2-1-3-7-18)23-12-15-25-13-10-17(11-14-25)26-20-9-5-4-8-19(20)24-22(26)28/h1-9,17H,10-16H2,(H,23,27)(H,24,28).
What are the key properties of N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2-phenylsulfanylacetamide?
N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2-phenylsulfanylacetamide has a molecular weight of 410.54 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 25105708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).