5-[1-(dimethylamino)-2-sulfanylethyl]-1,3-dihydrobenzimidazol-2-one

C11H15N3OS — CID 116908844

IUPAC5-[1-(dimethylamino)-2-sulfanylethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCN(C)C(CS)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C11H15N3OS/c1-14(2)10(6-16)7-3-4-8-9(5-7)13-11(15)12-8/h3-5,10,16H,6H2,1-2H3,(H2,12,13,15)
InChIKeyORDAYBMJTGDAJD-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.39
Rot. Bonds3

About 5-[1-(dimethylamino)-2-sulfanylethyl]-1,3-dihydrobenzimidazol-2-one

5-[1-(dimethylamino)-2-sulfanylethyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 116908844) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 5-[1-(dimethylamino)-2-sulfanylethyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[1-(dimethylamino)-2-sulfanylethyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID116908844
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name5-[1-(dimethylamino)-2-sulfanylethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCN(C)C(CS)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C11H15N3OS/c1-14(2)10(6-16)7-3-4-8-9(5-7)13-11(15)12-8/h3-5,10,16H,6H2,1-2H3,(H2,12,13,15)
InChIKeyORDAYBMJTGDAJD-UHFFFAOYSA-N
XLogP1.39
TPSA51.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

5-[1-(dimethylamino)-3-oxobutyl]-1,3-dihydrobenzimidazol-2-one
CID 116910558
5-[1-(dimethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 116914662
5-(1-hydroxy-2-sulfanylethyl)-1,3-dihydrobenzimidazol-2-one
CID 116830041
5-[4-amino-1-(dimethylamino)-2-methylbutyl]-1,3-dihydrobenzimidazol-2-one
CID 116905392
5-(1-chloroethyl)-1,3-dihydrobenzimidazol-2-one
CID 61083756
5-(1-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one
CID 117283003
5-[1-(propan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43200626
6-[1-(dimethylamino)-2-sulfanylethyl]-4H-1,4-benzoxazin-3-one
CID 116908828
5-[1-(pentan-3-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43204325
5-[1-hydroxy-2-(methylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 20613953
5-(diaminomethyl)-1,3-dihydrobenzimidazol-2-one
CID 116939209
5-[3-methyl-1-(methylamino)butan-2-yl]-1,3-dihydrobenzimidazol-2-one
CID 116964358

Frequently Asked Questions

What is the IUPAC name of 5-[1-(dimethylamino)-2-sulfanylethyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[1-(dimethylamino)-2-sulfanylethyl]-1,3-dihydrobenzimidazol-2-one (CID 116908844) is 5-[1-(dimethylamino)-2-sulfanylethyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[1-(dimethylamino)-2-sulfanylethyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[1-(dimethylamino)-2-sulfanylethyl]-1,3-dihydrobenzimidazol-2-one is CN(C)C(CS)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[1-(dimethylamino)-2-sulfanylethyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is ORDAYBMJTGDAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-14(2)10(6-16)7-3-4-8-9(5-7)13-11(15)12-8/h3-5,10,16H,6H2,1-2H3,(H2,12,13,15).
What are the key properties of 5-[1-(dimethylamino)-2-sulfanylethyl]-1,3-dihydrobenzimidazol-2-one?
5-[1-(dimethylamino)-2-sulfanylethyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 237.33 g/mol, XLogP of 1.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(dimethylamino)-2-sulfanylethyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 116908844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).