Zinc04135816
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Basic information
- CAS
5863-27-4- Standard SMILES
N#Cc1c2c(c(NCCCO)n3c1nc1ccccc13)CCC2- InChIKey
ABQPIBUOVPUSRN-UHFFFAOYSA-N- Molecular formula
- C18H18N4O
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.14806121
Names & identifiers
- Preferred name
- Zinc04135816
- IUPAC
- 16-(3-hydroxypropylamino)-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile
- English name
- 11-((3-hydroxypropyl)amino)-2,3-dihydro-1H-benzo[4,5]imidazo[1,2-a]cyclopenta[d]pyridine-4-carbonitrile
- Molecular formula
- C18H18N4O
- Molecular weight
- 306.36
Names & synonyms
ZINC041358165863-27-4DTXSID70386823RefChem:388705DTXCID20337845305332-23-416-[(3-hydroxypropyl)amino]-1,8-diazatetracyclo[7.7.0.0^{2,7}.0^{11,15}]hexadeca-2(7),3,5,8,10,15-hexaene-10-carbonitrile11-((3-hydroxypropyl)amino)-2,3-dihydro-1H-benzo[4,5]imidazo[1,2-a]cyclopenta[d]pyridine-4-carbonitrile11-[(3-hydroxypropyl)amino]-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a]benzimidazole-4-carbonitrileChemDivAM_000948ChemDiv1_021501HMS648B07
Show more names
1H-Cyclopenta[4,5]pyrido[1,2-a]benzimidazole-4-carbonitrile, 2,3-dihydro-11-[(3-hydroxypropyl)amino]-
SMSF0008328STK105730AKOS000542532CB00627CCG-106668EU-0071655ST50053070AB00099639-01
Database identifiers
- CAS
5863-27-4- PubChem CID
- 2873628
- DTXSID
DTXSID70386823
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 73.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 475
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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