5-(5-sulfanylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one

C11H8N2O2S — CID 144951449

IUPAC5-(5-sulfanylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(-c3ccc(S)o3)cc2[nH]1
InChIInChI=1S/C11H8N2O2S/c14-11-12-7-2-1-6(5-8(7)13-11)9-3-4-10(16)15-9/h1-5,16H,(H2,12,13,14)
InChIKeyNWRVPYJVIGEYMP-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.40
Rot. Bonds1

About 5-(5-sulfanylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one

5-(5-sulfanylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 144951449) has the molecular formula C11H8N2O2S and a molecular weight of 232.26 g/mol. Its IUPAC name is 5-(5-sulfanylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(5-sulfanylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one
PubChem CID144951449
Molecular FormulaC11H8N2O2S
Molecular Weight232.26 g/mol
Exact Mass232.03
IUPAC Name5-(5-sulfanylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(-c3ccc(S)o3)cc2[nH]1
InChIInChI=1S/C11H8N2O2S/c14-11-12-7-2-1-6(5-8(7)13-11)9-3-4-10(16)15-9/h1-5,16H,(H2,12,13,14)
InChIKeyNWRVPYJVIGEYMP-UHFFFAOYSA-N
XLogP2.40
TPSA61.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.40
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-[(E)-3-(5-iodofuran-2-yl)prop-2-enoyl]-1,3-dimethylbenzimidazol-2-one
CID 178292800
2,2-Difluoro-1,3-dihydrofuro[2,3-f]benzimidazole-6-thiol
CID 70465984
3-methyl-5-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-benzimidazol-2-one
CID 167854157
[2-Oxo-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl] furan-2-carboxylate
CID 17559746
Phenyl 2-sulfanylidene-1,3-dihydrobenzimidazole-5-carboxylate
CID 19366594
[2-Amino-4-(furan-2-yl)phenyl]carbamic acid
CID 22224668
5-[2-[Furan-2-ylmethyl(methyl)amino]acetyl]-1,3-dihydrobenzimidazol-2-one
CID 45798308
5-(5-Methylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one
CID 57833874
[4-(5-Methylfuran-2-yl)phenyl]urea
CID 57833894
3-[5-(2-Oxo-1,3-dihydrobenzimidazol-5-yl)furan-2-yl]propanal
CID 57834030
5-(5-Propan-2-ylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one
CID 126610112
Ethane;5-(5-methylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one
CID 144951341

Frequently Asked Questions

What is the IUPAC name of 5-(5-sulfanylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(5-sulfanylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one (CID 144951449) is 5-(5-sulfanylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(5-sulfanylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(5-sulfanylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(-c3ccc(S)o3)cc2[nH]1.
What is the InChIKey of 5-(5-sulfanylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is NWRVPYJVIGEYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2S/c14-11-12-7-2-1-6(5-8(7)13-11)9-3-4-10(16)15-9/h1-5,16H,(H2,12,13,14).
What are the key properties of 5-(5-sulfanylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one?
5-(5-sulfanylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 232.26 g/mol, XLogP of 2.40, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-sulfanylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 144951449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).