2-[hydroxy(propyl)amino]-N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)acetamide

C12H16N4O2S — CID 58761529

IUPAC2-[hydroxy(propyl)amino]-N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESCCCN(O)CC(=O)Nc1ccc2[nH]c(=S)[nH]c2c1
InChIInChI=1S/C12H16N4O2S/c1-2-5-16(18)7-11(17)13-8-3-4-9-10(6-8)15-12(19)14-9/h3-4,6,18H,2,5,7H2,1H3,(H,13,17)(H2,14,15,19)
InChIKeyULLIEXCZGHGJBQ-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.27
Rot. Bonds5

About 2-[hydroxy(propyl)amino]-N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)acetamide

2-[hydroxy(propyl)amino]-N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)acetamide (PubChem CID 58761529) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-[hydroxy(propyl)amino]-N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[hydroxy(propyl)amino]-N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)acetamide
PubChem CID58761529
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name2-[hydroxy(propyl)amino]-N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESCCCN(O)CC(=O)Nc1ccc2[nH]c(=S)[nH]c2c1
InChIInChI=1S/C12H16N4O2S/c1-2-5-16(18)7-11(17)13-8-3-4-9-10(6-8)15-12(19)14-9/h3-4,6,18H,2,5,7H2,1H3,(H,13,17)(H2,14,15,19)
InChIKeyULLIEXCZGHGJBQ-UHFFFAOYSA-N
XLogP2.27
TPSA84.15 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(propyl)amino]-N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)acetamide?
The IUPAC name of 2-[hydroxy(propyl)amino]-N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)acetamide (CID 58761529) is 2-[hydroxy(propyl)amino]-N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-[hydroxy(propyl)amino]-N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)acetamide?
The canonical SMILES for 2-[hydroxy(propyl)amino]-N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)acetamide is CCCN(O)CC(=O)Nc1ccc2[nH]c(=S)[nH]c2c1.
What is the InChIKey of 2-[hydroxy(propyl)amino]-N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)acetamide?
The InChIKey is ULLIEXCZGHGJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-2-5-16(18)7-11(17)13-8-3-4-9-10(6-8)15-12(19)14-9/h3-4,6,18H,2,5,7H2,1H3,(H,13,17)(H2,14,15,19).
What are the key properties of 2-[hydroxy(propyl)amino]-N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)acetamide?
2-[hydroxy(propyl)amino]-N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)acetamide has a molecular weight of 280.35 g/mol, XLogP of 2.27, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(propyl)amino]-N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)acetamide is sourced from PubChem (CID 58761529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).