1,3-dimethyl-5-(4-piperidin-4-ylpiperidin-1-yl)sulfonylbenzimidazol-2-one

C19H28N4O3S — CID 146041276

IUPAC1,3-dimethyl-5-(4-piperidin-4-ylpiperidin-1-yl)sulfonylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)N3CCC(C4CCNCC4)CC3)ccc21
InChIInChI=1S/C19H28N4O3S/c1-21-17-4-3-16(13-18(17)22(2)19(21)24)27(25,26)23-11-7-15(8-12-23)14-5-9-20-10-6-14/h3-4,13-15,20H,5-12H2,1-2H3
InChIKeyJBAXVQZUTAKIQE-UHFFFAOYSA-N
MW392.53 g/mol
LogP1.28
Rot. Bonds3

About 1,3-dimethyl-5-(4-piperidin-4-ylpiperidin-1-yl)sulfonylbenzimidazol-2-one

1,3-dimethyl-5-(4-piperidin-4-ylpiperidin-1-yl)sulfonylbenzimidazol-2-one (PubChem CID 146041276) has the molecular formula C19H28N4O3S and a molecular weight of 392.53 g/mol. Its IUPAC name is 1,3-dimethyl-5-(4-piperidin-4-ylpiperidin-1-yl)sulfonylbenzimidazol-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-(4-piperidin-4-ylpiperidin-1-yl)sulfonylbenzimidazol-2-one
PubChem CID146041276
Molecular FormulaC19H28N4O3S
Molecular Weight392.53 g/mol
Exact Mass392.19
IUPAC Name1,3-dimethyl-5-(4-piperidin-4-ylpiperidin-1-yl)sulfonylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)N3CCC(C4CCNCC4)CC3)ccc21
InChIInChI=1S/C19H28N4O3S/c1-21-17-4-3-16(13-18(17)22(2)19(21)24)27(25,26)23-11-7-15(8-12-23)14-5-9-20-10-6-14/h3-4,13-15,20H,5-12H2,1-2H3
InChIKeyJBAXVQZUTAKIQE-UHFFFAOYSA-N
XLogP1.28
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpiperidin-4-yl]-N-methylacetamide
CID 49456349
1,3-dimethyl-5-[4-[(3R)-1-methyl-2-oxoazepan-3-yl]piperidin-1-yl]sulfonylbenzimidazol-2-one
CID 95832120
1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N,N-dimethylpiperidine-4-carboxamide
CID 49454117
1,3-dimethyl-2-oxo-N-piperidin-4-ylbenzimidazole-5-sulfonamide
CID 119960641
5-(3-aminopiperidin-1-yl)sulfonyl-1,3-dimethylbenzimidazol-2-one
CID 119959710
5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,3-dimethylbenzimidazol-2-one
CID 35141963
1,3-dimethyl-5-(2-methylpiperazin-1-yl)sulfonylbenzimidazol-2-one;hydrochloride
CID 119969942
5-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-1,3-dimethylbenzimidazol-2-one
CID 172895773
1,3-dimethyl-5-[4-(2-methylpropanoyl)piperazin-1-yl]sulfonylbenzimidazol-2-one
CID 19259561
5-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]-1,3-dimethylbenzimidazol-2-one
CID 49454545
5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-1,3-dimethylbenzimidazol-2-one
CID 53000984
5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-1,3-dimethylbenzimidazol-2-one
CID 7573828

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(4-piperidin-4-ylpiperidin-1-yl)sulfonylbenzimidazol-2-one?
The IUPAC name of 1,3-dimethyl-5-(4-piperidin-4-ylpiperidin-1-yl)sulfonylbenzimidazol-2-one (CID 146041276) is 1,3-dimethyl-5-(4-piperidin-4-ylpiperidin-1-yl)sulfonylbenzimidazol-2-one.
What is the SMILES notation for 1,3-dimethyl-5-(4-piperidin-4-ylpiperidin-1-yl)sulfonylbenzimidazol-2-one?
The canonical SMILES for 1,3-dimethyl-5-(4-piperidin-4-ylpiperidin-1-yl)sulfonylbenzimidazol-2-one is Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCC(C4CCNCC4)CC3)ccc21.
What is the InChIKey of 1,3-dimethyl-5-(4-piperidin-4-ylpiperidin-1-yl)sulfonylbenzimidazol-2-one?
The InChIKey is JBAXVQZUTAKIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3S/c1-21-17-4-3-16(13-18(17)22(2)19(21)24)27(25,26)23-11-7-15(8-12-23)14-5-9-20-10-6-14/h3-4,13-15,20H,5-12H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-(4-piperidin-4-ylpiperidin-1-yl)sulfonylbenzimidazol-2-one?
1,3-dimethyl-5-(4-piperidin-4-ylpiperidin-1-yl)sulfonylbenzimidazol-2-one has a molecular weight of 392.53 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(4-piperidin-4-ylpiperidin-1-yl)sulfonylbenzimidazol-2-one is sourced from PubChem (CID 146041276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).