5-(3-aminopropylsulfonyl)-1,3-dihydrobenzimidazol-2-one

C10H13N3O3S — CID 116853283

IUPAC5-(3-aminopropylsulfonyl)-1,3-dihydrobenzimidazol-2-one
SMILESNCCCS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C10H13N3O3S/c11-4-1-5-17(15,16)7-2-3-8-9(6-7)13-10(14)12-8/h2-3,6H,1,4-5,11H2,(H2,12,13,14)
InChIKeyURNGALSFCDXLSS-UHFFFAOYSA-N
MW255.30 g/mol
LogP-0.02
Rot. Bonds4

About 5-(3-aminopropylsulfonyl)-1,3-dihydrobenzimidazol-2-one

5-(3-aminopropylsulfonyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 116853283) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is 5-(3-aminopropylsulfonyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(3-aminopropylsulfonyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID116853283
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Name5-(3-aminopropylsulfonyl)-1,3-dihydrobenzimidazol-2-one
SMILESNCCCS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C10H13N3O3S/c11-4-1-5-17(15,16)7-2-3-8-9(6-7)13-10(14)12-8/h2-3,6H,1,4-5,11H2,(H2,12,13,14)
InChIKeyURNGALSFCDXLSS-UHFFFAOYSA-N
XLogP-0.02
TPSA108.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-(3-aminopropylsulfonyl)-1,3-dihydrobenzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-(methylamino)ethylsulfonyl]-1,3-dihydrobenzimidazol-2-one
CID 116853397
5-[3-aminopropyl(methyl)amino]-1,3-dihydrobenzimidazol-2-one
CID 82494084
6-(3-aminopropylsulfonyl)-3,4-dihydro-1H-quinolin-2-one
CID 116853259
N-(3-amino-2,2-difluoropropyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 114383991
5-(4-chlorophenyl)sulfonylpentan-1-amine
CID 22617016
4-(4-fluorophenyl)sulfonylbutan-1-amine
CID 28753396
3-(3-chlorophenyl)sulfonylpropan-1-amine
CID 28753143
3-(4-nitrosophenyl)sulfonylpropan-1-amine
CID 149118924
5-[4-(3-aminopropanoyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 119274754
5-[(2-aminoethylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 115195337
6-(3-aminopropylsulfonyl)-2,2-diethyl-4H-1,4-benzoxazin-3-one
CID 82355083
4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butanoate
CID 7263204

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropylsulfonyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(3-aminopropylsulfonyl)-1,3-dihydrobenzimidazol-2-one (CID 116853283) is 5-(3-aminopropylsulfonyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(3-aminopropylsulfonyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(3-aminopropylsulfonyl)-1,3-dihydrobenzimidazol-2-one is NCCCS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-(3-aminopropylsulfonyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is URNGALSFCDXLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c11-4-1-5-17(15,16)7-2-3-8-9(6-7)13-10(14)12-8/h2-3,6H,1,4-5,11H2,(H2,12,13,14).
What are the key properties of 5-(3-aminopropylsulfonyl)-1,3-dihydrobenzimidazol-2-one?
5-(3-aminopropylsulfonyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 255.30 g/mol, XLogP of -0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropylsulfonyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 116853283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).