5-[(methylsulfamoylamino)methyl]-1,3-dihydrobenzimidazol-2-one

C9H12N4O3S — CID 22745215

IUPAC5-[(methylsulfamoylamino)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCNS(=O)(=O)NCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C9H12N4O3S/c1-10-17(15,16)11-5-6-2-3-7-8(4-6)13-9(14)12-7/h2-4,10-11H,5H2,1H3,(H2,12,13,14)
InChIKeyMJOHMSUPXPCPMM-UHFFFAOYSA-N
MW256.29 g/mol
LogP-0.59
Rot. Bonds4

About 5-[(methylsulfamoylamino)methyl]-1,3-dihydrobenzimidazol-2-one

5-[(methylsulfamoylamino)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 22745215) has the molecular formula C9H12N4O3S and a molecular weight of 256.29 g/mol. Its IUPAC name is 5-[(methylsulfamoylamino)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[(methylsulfamoylamino)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID22745215
Molecular FormulaC9H12N4O3S
Molecular Weight256.29 g/mol
Exact Mass256.06
IUPAC Name5-[(methylsulfamoylamino)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCNS(=O)(=O)NCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C9H12N4O3S/c1-10-17(15,16)11-5-6-2-3-7-8(4-6)13-9(14)12-7/h2-4,10-11H,5H2,1H3,(H2,12,13,14)
InChIKeyMJOHMSUPXPCPMM-UHFFFAOYSA-N
XLogP-0.59
TPSA106.85 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 5-0.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

5-(methylsulfonylmethyl)-1,3-dihydrobenzimidazol-2-one
CID 22745310
N-[(3,4-dimethylphenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110779641
N,N-dimethyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)methanesulfonamide
CID 22745222
5-chloro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]thiophene-2-sulfonamide
CID 110785314
5-[(aminomethylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 115225769
4-methoxy-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzenesulfonamide
CID 110785308
5-[[4-(methylamino)cyclohexyl]methyl]-1,3-dihydrobenzimidazol-2-one
CID 116926363
N-[(2-methyl-1H-indol-5-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110427842
5-[(2-oxopropylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 115234767
2-methyl-2-(methylamino)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide
CID 115165741
2-oxo-N-[(4-propan-2-ylphenyl)methyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110779580
5-[(2-aminoethylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 115195337

Frequently Asked Questions

What is the IUPAC name of 5-[(methylsulfamoylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[(methylsulfamoylamino)methyl]-1,3-dihydrobenzimidazol-2-one (CID 22745215) is 5-[(methylsulfamoylamino)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[(methylsulfamoylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[(methylsulfamoylamino)methyl]-1,3-dihydrobenzimidazol-2-one is CNS(=O)(=O)NCc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[(methylsulfamoylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is MJOHMSUPXPCPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3S/c1-10-17(15,16)11-5-6-2-3-7-8(4-6)13-9(14)12-7/h2-4,10-11H,5H2,1H3,(H2,12,13,14).
What are the key properties of 5-[(methylsulfamoylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
5-[(methylsulfamoylamino)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 256.29 g/mol, XLogP of -0.59, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(methylsulfamoylamino)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 22745215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).