[8-(2-chloro-4,6-dimethyl-phenyl)-2-methyl-8H-1,3a,7,8-tetraaza-cyclopenta[a]inden-3-ylmethyl]-cyclobutylmethyl-propyl-amine
Basic information
- CAS
444326-51-6- Standard SMILES
CCCN(Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12)CC1CCC1- InChIKey
BZGUNPFVJIKLEZ-UHFFFAOYSA-N- Molecular formula
- C26H32ClN5
- Average molar mass
- 450 g/mol
- Monoisotopic mass
- 449.2346237
Names & identifiers
- Preferred name
- [8-(2-chloro-4,6-dimethyl-phenyl)-2-methyl-8H-1,3a,7,8-tetraaza-cyclopenta[a]inden-3-ylmethyl]-cyclobutylmethyl-propyl-amine
- IUPAC
- N-[[7-(2-chloro-4,6-dimethylphenyl)-4-methyl-2,5,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-3-yl]methyl]-N-(cyclobutylmethyl)propan-1-amine
Names & synonyms
CHEMBL393044SCHEMBL6084931DTXSID901103107BDBM50203611[8-(2-chloro-4,6-dimethyl-phenyl)-2-methyl-8H-1,3a,7,8-tetraaza-cyclopenta[a]inden-3-ylmethyl]-cyclobutylmethyl-propyl-amine444326-51-69-(2-Chloro-4,6-dimethylphenyl)-N-(cyclobutylmethyl)-2-methyl-N-propyl-9H-imidazo[1a(2),2a(2):1,2]imidazo[4,5-b]pyridine-3-methanamine
Database identifiers
- CAS
444326-51-6- PubChem CID
- 21916331
- DTXSID
DTXSID901103107- ChEMBL
CHEMBL393044
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 38.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 629
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Compound notes
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