Basic information
- Standard SMILES
c1ccc2[nH]c(CSc3ncnc4ccccc34)nc2c1- InChIKey
NSDOWMLMWQFTBB-UHFFFAOYSA-N- Molecular formula
- C16H12N4S
- Average molar mass
- 292.4 g/mol
Names & identifiers
- Preferred name
- 4-[(1H-benzimidazol-2-ylmethyl)thio]quinazoline
- IUPAC
- 4-(1H-benzimidazol-2-ylmethylsulfanyl)quinazoline
Names & synonyms
4-[(1H-benzimidazol-2-ylmethyl)thio]quinazolineOprea1_311801SCHEMBL9356827AKOS003573753ST0380184-(2-Benzimidazolylmethylthio)-quinazoline4-(benzimidazol-2-ylmethylthio)quinazolineEU-0086091SR-010005330934-(1H-Benzoimidazol-2-ylmethylsulfanyl)-quinazolineSR-01000533093-14-[(1H-Benzimidazol-2-ylmethyl)sulfanyl]quinazoline #
Database identifiers
- PubChem CID
- 596155
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 353
Related reactions
1 records
Compound notes
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