phenyl-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)methanone

C14H10N2OS — CID 802340

IUPACphenyl-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)methanone
SMILESO=C(c1ccccc1)c1ccc2[nH]c(=S)[nH]c2c1
InChIInChI=1S/C14H10N2OS/c17-13(9-4-2-1-3-5-9)10-6-7-11-12(8-10)16-14(18)15-11/h1-8H,(H2,15,16,18)
InChIKeyWVONOTFBACQFPO-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.46
Rot. Bonds2

About phenyl-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)methanone

phenyl-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)methanone (PubChem CID 802340) has the molecular formula C14H10N2OS and a molecular weight of 254.31 g/mol. Its IUPAC name is phenyl-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)methanone.

Molecular Properties

Compound Namephenyl-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)methanone
PubChem CID802340
Molecular FormulaC14H10N2OS
Molecular Weight254.31 g/mol
Exact Mass254.05
IUPAC Namephenyl-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)methanone
SMILESO=C(c1ccccc1)c1ccc2[nH]c(=S)[nH]c2c1
InChIInChI=1S/C14H10N2OS/c17-13(9-4-2-1-3-5-9)10-6-7-11-12(8-10)16-14(18)15-11/h1-8H,(H2,15,16,18)
InChIKeyWVONOTFBACQFPO-UHFFFAOYSA-N
XLogP3.46
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze phenyl-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of phenyl-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)methanone?
The IUPAC name of phenyl-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)methanone (CID 802340) is phenyl-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)methanone.
What is the SMILES notation for phenyl-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)methanone?
The canonical SMILES for phenyl-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)methanone is O=C(c1ccccc1)c1ccc2[nH]c(=S)[nH]c2c1.
What is the InChIKey of phenyl-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)methanone?
The InChIKey is WVONOTFBACQFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2OS/c17-13(9-4-2-1-3-5-9)10-6-7-11-12(8-10)16-14(18)15-11/h1-8H,(H2,15,16,18).
What are the key properties of phenyl-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)methanone?
phenyl-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)methanone has a molecular weight of 254.31 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)methanone is sourced from PubChem (CID 802340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).