1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-phenylthiourea

C14H12N4OS — CID 973009

IUPAC1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-phenylthiourea
SMILESO=c1[nH]c2ccc(NC(=S)Nc3ccccc3)cc2[nH]1
InChIInChI=1S/C14H12N4OS/c19-13-17-11-7-6-10(8-12(11)18-13)16-14(20)15-9-4-2-1-3-5-9/h1-8H,(H2,15,16,20)(H2,17,18,19)
InChIKeyQLGGKDNTXMHQHZ-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.67
Rot. Bonds2

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

1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-phenylthiourea (PubChem CID 973009) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is 1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-phenylthiourea.

Molecular Properties

Compound Name1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-phenylthiourea
PubChem CID973009
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC Name1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-phenylthiourea
SMILESO=c1[nH]c2ccc(NC(=S)Nc3ccccc3)cc2[nH]1
InChIInChI=1S/C14H12N4OS/c19-13-17-11-7-6-10(8-12(11)18-13)16-14(20)15-9-4-2-1-3-5-9/h1-8H,(H2,15,16,20)(H2,17,18,19)
InChIKeyQLGGKDNTXMHQHZ-UHFFFAOYSA-N
XLogP2.67
TPSA72.71 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2H-Benzimidazol-2-one, 1,3-dihydro-1-phenyl-
CID 84657
6-Amino-2-mercaptobenzimidazole
CID 2734002
1-Phenyl-1H-benzimidazol-2-YL hydrosulfide
CID 720852
5-Amino-2-hydroxybenzimidazole
CID 66765
5-amino-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 779710
5-nitro-1-phenyl-1H-1,3-benzodiazole-2-thiol
CID 3863654
1-Butyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea
CID 2325961
1-Benzyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea
CID 2328600
1-(4-Methylphenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea
CID 3629808
1-(2-Chlorophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea
CID 2564703
1-(3,4-dimethylphenyl)-3-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)thiourea
CID 2369866
1-(2-Methoxyethyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea
CID 2393080

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-phenylthiourea?
The IUPAC name of 1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-phenylthiourea (CID 973009) is 1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-phenylthiourea.
What is the SMILES notation for 1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-phenylthiourea?
The canonical SMILES for 1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-phenylthiourea is O=c1[nH]c2ccc(NC(=S)Nc3ccccc3)cc2[nH]1.
What is the InChIKey of 1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-phenylthiourea?
The InChIKey is QLGGKDNTXMHQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c19-13-17-11-7-6-10(8-12(11)18-13)16-14(20)15-9-4-2-1-3-5-9/h1-8H,(H2,15,16,20)(H2,17,18,19).
What are the key properties of 1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-phenylthiourea?
1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-phenylthiourea has a molecular weight of 284.34 g/mol, XLogP of 2.67, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-phenylthiourea is sourced from PubChem (CID 973009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).