N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)acetamide

C9H9N3OS — CID 12795324

IUPACN-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESCC(=O)Nc1ccc2[nH]c(=S)[nH]c2c1
InChIInChI=1S/C9H9N3OS/c1-5(13)10-6-2-3-7-8(4-6)12-9(14)11-7/h2-4H,1H3,(H,10,13)(H2,11,12,14)
InChIKeyOKXUBGULDQECIU-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.18
Rot. Bonds1

About N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)acetamide

N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)acetamide (PubChem CID 12795324) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)acetamide
PubChem CID12795324
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC NameN-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESCC(=O)Nc1ccc2[nH]c(=S)[nH]c2c1
InChIInChI=1S/C9H9N3OS/c1-5(13)10-6-2-3-7-8(4-6)12-9(14)11-7/h2-4H,1H3,(H,10,13)(H2,11,12,14)
InChIKeyOKXUBGULDQECIU-UHFFFAOYSA-N
XLogP2.18
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(Acetoacetylamino)benzimidazolone
CID 117822
6-Amino-2-mercaptobenzimidazole
CID 2734002
5-Amino-2-hydroxybenzimidazole
CID 66765
5-amino-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 779710
1,3-Dihydro-1-(1-methylvinyl)-2H-benzimidazol-2-one
CID 100278
1-Butyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea
CID 2325961
1-(4-Methylphenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea
CID 3629808
N-(2,4-diaminophenyl)acetamide
CID 80760
2-Chloro-N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzoimidazol-5-yl)-acetamide
CID 1096383
1-(2-Methoxyethyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea
CID 2393080
N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-N'-phenylthiourea
CID 973009
5-Amino-1,3-diethyl-1,3-dihydro-benzoimidazol-2-one hydrochloride
CID 2983395

Frequently Asked Questions

What is the IUPAC name of N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)acetamide?
The IUPAC name of N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)acetamide (CID 12795324) is N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)acetamide.
What is the SMILES notation for N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)acetamide?
The canonical SMILES for N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)acetamide is CC(=O)Nc1ccc2[nH]c(=S)[nH]c2c1.
What is the InChIKey of N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)acetamide?
The InChIKey is OKXUBGULDQECIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c1-5(13)10-6-2-3-7-8(4-6)12-9(14)11-7/h2-4H,1H3,(H,10,13)(H2,11,12,14).
What are the key properties of N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)acetamide?
N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)acetamide has a molecular weight of 207.26 g/mol, XLogP of 2.18, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)acetamide is sourced from PubChem (CID 12795324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).