1-(2-methylphenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea

C15H14N4OS — CID 2429607

IUPAC1-(2-methylphenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea
SMILESCc1ccccc1NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H14N4OS/c1-9-4-2-3-5-11(9)19-15(21)16-10-6-7-12-13(8-10)18-14(20)17-12/h2-8H,1H3,(H2,16,19,21)(H2,17,18,20)
InChIKeyRKYZCVVJDQFVKS-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.97
Rot. Bonds2

About 1-(2-methylphenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea

1-(2-methylphenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea (PubChem CID 2429607) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea
PubChem CID2429607
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name1-(2-methylphenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea
SMILESCc1ccccc1NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H14N4OS/c1-9-4-2-3-5-11(9)19-15(21)16-10-6-7-12-13(8-10)18-14(20)17-12/h2-8H,1H3,(H2,16,19,21)(H2,17,18,20)
InChIKeyRKYZCVVJDQFVKS-UHFFFAOYSA-N
XLogP2.97
TPSA72.71 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea?
The IUPAC name of 1-(2-methylphenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea (CID 2429607) is 1-(2-methylphenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea.
What is the SMILES notation for 1-(2-methylphenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea?
The canonical SMILES for 1-(2-methylphenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea is Cc1ccccc1NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 1-(2-methylphenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea?
The InChIKey is RKYZCVVJDQFVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-9-4-2-3-5-11(9)19-15(21)16-10-6-7-12-13(8-10)18-14(20)17-12/h2-8H,1H3,(H2,16,19,21)(H2,17,18,20).
What are the key properties of 1-(2-methylphenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea?
1-(2-methylphenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea has a molecular weight of 298.37 g/mol, XLogP of 2.97, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea is sourced from PubChem (CID 2429607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).