Thiourea, N-(4-(1H-benzimidazol-2-ylmethoxy)phenyl)-N'-(3-methylphenyl)-
Basic information
- CAS
84484-03-7- Standard SMILES
Cc1cccc(NC(=S)Nc2ccc(OCc3nc4ccccc4[nH]3)cc2)c1- InChIKey
DEHAFGHSMBDUIN-UHFFFAOYSA-N- Molecular formula
- C22H20N4OS
- Average molar mass
- 388.5 g/mol
- Monoisotopic mass
- 388.13578245
Names & identifiers
- Preferred name
- Thiourea, N-(4-(1H-benzimidazol-2-ylmethoxy)phenyl)-N'-(3-methylphenyl)-
- IUPAC
- 1-[4-(1H-benzimidazol-2-ylmethoxy)phenyl]-3-(3-methylphenyl)thiourea
- English name
- 3-[4-(1H-benzoimidazol-2-ylmethoxy)phenyl]-1-(3-methylphenyl)thiourea
- Molecular formula
- C22H20N4OS
- Molecular weight
- 388.49
Names & synonyms
84484-03-7Thiourea, N-(4-(1H-benzimidazol-2-ylmethoxy)phenyl)-N'-(3-methylphenyl)-N-(4-(1H-Benzimidazol-2-ylmethoxy)phenyl)-N'-(3-methylphenyl)thioureaDTXSID80233470RefChem:385482DTXCID801559611-[4-(1H-benzimidazol-2-ylmethoxy)phenyl]-3-(3-methylphenyl)thioureaN-{4-[(1H-1,3-Benzimidazol-2-yl)methoxy]phenyl}-N'-(3-methylphenyl)thiourea3-[4-(1H-benzoimidazol-2-ylmethoxy)phenyl]-1-(3-methylphenyl)thioureaThiourea, N-[4-(1H-benzimidazol-2-ylmethoxy)phenyl]-N'-(3-methylphenyl)-
Database identifiers
- CAS
84484-03-7- PubChem CID
- 3069271
- DTXSID
DTXSID80233470
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 94.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 511
Physicochemical properties
- Boiling point
- 630.2 · 630.2±65.0 °C(Predicted)
- Density
- 1.366 · 1.366±0.06 g/cm3(Predicted)
- pka
- 11.4 · 11.40±0.10(Predicted)
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Compound notes
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