3,5-Bis(((4-(4,5-dihydro-1H-imidazol-2-yl)anilino)carbonyl)amino)benzoic acid
Basic information
- CAS
5300-56-1- Standard SMILES
O=C(Nc1ccc(C2=NCCN2)cc1)Nc1cc(NC(=O)Nc2ccc(C3=NCCN3)cc2)cc(C(=O)O)c1- InChIKey
PQQQHHNCTCOPJD-UHFFFAOYSA-N- Molecular formula
- C27H26N8O4
- Average molar mass
- 526.5 g/mol
- Monoisotopic mass
- 526.20770134
Names & identifiers
- Preferred name
- 3,5-Bis(((4-(4,5-dihydro-1H-imidazol-2-yl)anilino)carbonyl)amino)benzoic acid
- IUPAC
- 3,5-bis[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]benzoic acid
Names & synonyms
NCI-B165300-56-1802835-01-43,5-Bis(((4-(4,5-dihydro-1H-imidazol-2-yl)anilino)carbonyl)amino)benzoic acid3,5-bis[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]benzoic acidNSC636833,5-Bis(3-(4-(4,5-dihydro-1H-imidazol-2-yl)phenyl)ureido)benzoic acidNSC 63683orb1943071SCHEMBL31270763DTXSID60201051HY-156215
Show more names
CS-0897638T816943,5-Bis({[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoyl}amino)benzoic acid
Database identifiers
- CAS
5300-56-1- PubChem CID
- 414760
- DTXSID
DTXSID60201051
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 168 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 887
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Compound notes
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