1'-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

C22H23N5O2S — CID 46959558

IUPAC1'-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESCn1c(SCC(=O)N2CCC3(CC2)NC(=O)c2ccccc2N3)nc2ccccc21
InChIInChI=1S/C22H23N5O2S/c1-26-18-9-5-4-8-17(18)23-21(26)30-14-19(28)27-12-10-22(11-13-27)24-16-7-3-2-6-15(16)20(29)25-22/h2-9,24H,10-14H2,1H3,(H,25,29)
InChIKeyUDKBYQYRHOXXFN-UHFFFAOYSA-N
MW421.53 g/mol
LogP2.84
Rot. Bonds3

About 1'-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

1'-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (PubChem CID 46959558) has the molecular formula C22H23N5O2S and a molecular weight of 421.53 g/mol. Its IUPAC name is 1'-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
PubChem CID46959558
Molecular FormulaC22H23N5O2S
Molecular Weight421.53 g/mol
Exact Mass421.16
IUPAC Name1'-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESCn1c(SCC(=O)N2CCC3(CC2)NC(=O)c2ccccc2N3)nc2ccccc21
InChIInChI=1S/C22H23N5O2S/c1-26-18-9-5-4-8-17(18)23-21(26)30-14-19(28)27-12-10-22(11-13-27)24-16-7-3-2-6-15(16)20(29)25-22/h2-9,24H,10-14H2,1H3,(H,25,29)
InChIKeyUDKBYQYRHOXXFN-UHFFFAOYSA-N
XLogP2.84
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1'-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one with MolForge

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Related Compounds

1-(azocan-1-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone
CID 78771129
2-(1-methylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone
CID 9362571
methyl 3-oxo-3-(4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-yl)propanoate
CID 134069534
2-(1-methylbenzimidazol-2-yl)sulfanyl-1-(3-methylpiperidin-1-yl)ethanone
CID 17413749
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(1-methylbenzimidazol-2-yl)sulfanylethanone
CID 40673779
2-(4-fluorophenyl)-2-[4-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]piperazin-1-yl]acetonitrile
CID 112810418
N-(2,6-dimethylphenyl)-2-[4-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]piperazin-1-yl]acetamide
CID 27929631
1'-(1-phenylcyclopentanecarbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46950624
2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone
CID 861065
1'-(4-amino-1,2,5-oxadiazole-3-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46952531
2-[2-[2-(azepan-1-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 3224716
2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-(4-ethylpiperazin-1-yl)ethanone
CID 112759939

Frequently Asked Questions

What is the IUPAC name of 1'-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The IUPAC name of 1'-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (CID 46959558) is 1'-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is Cn1c(SCC(=O)N2CCC3(CC2)NC(=O)c2ccccc2N3)nc2ccccc21.
What is the InChIKey of 1'-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The InChIKey is UDKBYQYRHOXXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2S/c1-26-18-9-5-4-8-17(18)23-21(26)30-14-19(28)27-12-10-22(11-13-27)24-16-7-3-2-6-15(16)20(29)25-22/h2-9,24H,10-14H2,1H3,(H,25,29).
What are the key properties of 1'-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
1'-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one has a molecular weight of 421.53 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is sourced from PubChem (CID 46959558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).