2,4-dimethyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]benzamide

C17H16N4O2S — CID 936375

IUPAC2,4-dimethyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]benzamide
SMILESCc1ccc(C(=O)NC(=S)Nc2ccc3[nH]c(=O)[nH]c3c2)c(C)c1
InChIInChI=1S/C17H16N4O2S/c1-9-3-5-12(10(2)7-9)15(22)21-17(24)18-11-4-6-13-14(8-11)20-16(23)19-13/h3-8H,1-2H3,(H2,19,20,23)(H2,18,21,22,24)
InChIKeyIRSDRRMFQOPOEN-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.60
Rot. Bonds2

About 2,4-dimethyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]benzamide

2,4-dimethyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]benzamide (PubChem CID 936375) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]benzamide
PubChem CID936375
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name2,4-dimethyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]benzamide
SMILESCc1ccc(C(=O)NC(=S)Nc2ccc3[nH]c(=O)[nH]c3c2)c(C)c1
InChIInChI=1S/C17H16N4O2S/c1-9-3-5-12(10(2)7-9)15(22)21-17(24)18-11-4-6-13-14(8-11)20-16(23)19-13/h3-8H,1-2H3,(H2,19,20,23)(H2,18,21,22,24)
InChIKeyIRSDRRMFQOPOEN-UHFFFAOYSA-N
XLogP2.60
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]benzamide
CID 713343
N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-2,4-dimethylbenzamide
CID 3528413
2,4-dimethyl-N-(naphthalen-2-ylcarbamothioyl)benzamide
CID 961000
2-methoxy-5-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 35624437
1-(4-acetylphenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea
CID 2406863
N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-2,4-dimethylbenzamide
CID 4094580
2,4-dimethyl-N-[(3-nitrophenyl)carbamothioyl]benzamide
CID 960977
2,4-dimethyl-N-[(2-methylphenyl)carbamothioyl]benzamide
CID 961010
4-(2,5-dimethylphenyl)-4-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 26683100
2,4-dimethyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide
CID 3470943
2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 59347105
3,4-dihydroxy-2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 70877699

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]benzamide?
The IUPAC name of 2,4-dimethyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]benzamide (CID 936375) is 2,4-dimethyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]benzamide.
What is the SMILES notation for 2,4-dimethyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]benzamide?
The canonical SMILES for 2,4-dimethyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]benzamide is Cc1ccc(C(=O)NC(=S)Nc2ccc3[nH]c(=O)[nH]c3c2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]benzamide?
The InChIKey is IRSDRRMFQOPOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-9-3-5-12(10(2)7-9)15(22)21-17(24)18-11-4-6-13-14(8-11)20-16(23)19-13/h3-8H,1-2H3,(H2,19,20,23)(H2,18,21,22,24).
What are the key properties of 2,4-dimethyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]benzamide?
2,4-dimethyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]benzamide has a molecular weight of 340.41 g/mol, XLogP of 2.60, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]benzamide is sourced from PubChem (CID 936375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).