1,3-dimethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-one

C13H17N3O4S — CID 751864

IUPAC1,3-dimethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C13H17N3O4S/c1-14-11-4-3-10(9-12(11)15(2)13(14)17)21(18,19)16-5-7-20-8-6-16/h3-4,9H,5-8H2,1-2H3
InChIKeyGUEUHGYZILMGBU-UHFFFAOYSA-N
MW311.36 g/mol
LogP-0.10
Rot. Bonds2

About 1,3-dimethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-one

1,3-dimethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-one (PubChem CID 751864) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is 1,3-dimethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-one
PubChem CID751864
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name1,3-dimethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C13H17N3O4S/c1-14-11-4-3-10(9-12(11)15(2)13(14)17)21(18,19)16-5-7-20-8-6-16/h3-4,9H,5-8H2,1-2H3
InChIKeyGUEUHGYZILMGBU-UHFFFAOYSA-N
XLogP-0.10
TPSA73.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methoxypropyl)-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 16193893
2,3-Dihydro-2-oxo-1-propyl-1H-benzimidazole-5-sulfonamide
CID 28819101
(1,3-Dimethyl-2-oxo-2,3-dihydro-1H-benzoimidazole-5-sulfonylamino)-acetic acid
CID 3158007
1-[2-(Diethylamino)-5-morpholin-4-ylsulfonylphenyl]-3-phenylurea
CID 5075583
1,3-Dimethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-one
CID 751863
1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonic acid
CID 2055845
N-(2-methoxyethyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 3158005
2,3-Dihydro-N-[2-(2-hydroxyethoxy)ethyl]-1,3-dimethyl-2-oxo-1H-benzimidazole-5-sulfonamide
CID 3158006
1-(4-Fluorophenyl)-3-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)urea
CID 3902670
1-(5-Morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-3-phenylurea
CID 4337594
1-(2-Fluorophenyl)-3-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)urea
CID 4876694
1,3-dimethyl-5-[(4-methyl-1-piperidinyl)sulfonyl]-1,3-dihydro-2H-benzimidazol-2-one
CID 2218808

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-one?
The IUPAC name of 1,3-dimethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-one (CID 751864) is 1,3-dimethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-one.
What is the SMILES notation for 1,3-dimethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-one?
The canonical SMILES for 1,3-dimethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-one is Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCOCC3)ccc21.
What is the InChIKey of 1,3-dimethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-one?
The InChIKey is GUEUHGYZILMGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-14-11-4-3-10(9-12(11)15(2)13(14)17)21(18,19)16-5-7-20-8-6-16/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-one?
1,3-dimethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-one has a molecular weight of 311.36 g/mol, XLogP of -0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-one is sourced from PubChem (CID 751864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).