2-methoxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]benzamide

C16H14N4O3S — CID 713343

IUPAC2-methoxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]benzamide
SMILESCOc1ccccc1C(=O)NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H14N4O3S/c1-23-13-5-3-2-4-10(13)14(21)20-16(24)17-9-6-7-11-12(8-9)19-15(22)18-11/h2-8H,1H3,(H2,18,19,22)(H2,17,20,21,24)
InChIKeyOONNOCDWXGQQOW-UHFFFAOYSA-N
MW342.38 g/mol
LogP1.99
Rot. Bonds3

About 2-methoxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]benzamide

2-methoxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]benzamide (PubChem CID 713343) has the molecular formula C16H14N4O3S and a molecular weight of 342.38 g/mol. Its IUPAC name is 2-methoxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]benzamide
PubChem CID713343
Molecular FormulaC16H14N4O3S
Molecular Weight342.38 g/mol
Exact Mass342.08
IUPAC Name2-methoxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]benzamide
SMILESCOc1ccccc1C(=O)NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H14N4O3S/c1-23-13-5-3-2-4-10(13)14(21)20-16(24)17-9-6-7-11-12(8-9)19-15(22)18-11/h2-8H,1H3,(H2,18,19,22)(H2,17,20,21,24)
InChIKeyOONNOCDWXGQQOW-UHFFFAOYSA-N
XLogP1.99
TPSA99.01 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 51.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]benzamide
CID 936375
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-methoxybenzoate
CID 24684694
2-methoxy-5-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 35624437
2-methoxy-N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]benzamide
CID 17235835
N-[(2,5-dimethylphenyl)carbamothioyl]-2-methoxybenzamide
CID 883609
(2R)-2-(2-methoxyanilino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 9274065
2-methoxy-N-[(3-propoxyphenyl)carbamothioyl]benzamide
CID 17097026
N-(2,4-dioxo-1H-pyrimidin-6-yl)-2-methoxybenzamide
CID 5080941
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-hydroxy-3-methoxybenzoate
CID 24687138
methyl 5-[(2-methoxybenzoyl)carbamothioylamino]-2-morpholin-4-ylbenzoate
CID 42536141
N-[(2-hydroxyphenyl)carbamothioyl]-2-methoxybenzamide
CID 885156
N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-2-propan-2-yloxybenzamide
CID 17045900

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]benzamide?
The IUPAC name of 2-methoxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]benzamide (CID 713343) is 2-methoxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]benzamide?
The canonical SMILES for 2-methoxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]benzamide is COc1ccccc1C(=O)NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 2-methoxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]benzamide?
The InChIKey is OONNOCDWXGQQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3S/c1-23-13-5-3-2-4-10(13)14(21)20-16(24)17-9-6-7-11-12(8-9)19-15(22)18-11/h2-8H,1H3,(H2,18,19,22)(H2,17,20,21,24).
What are the key properties of 2-methoxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]benzamide?
2-methoxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]benzamide has a molecular weight of 342.38 g/mol, XLogP of 1.99, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]benzamide is sourced from PubChem (CID 713343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).