Basic information
- Standard SMILES
O=C(c1cncnc1)N1CCN(C2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1- InChIKey
TYKIUJHABZCOET-UHFFFAOYSA-N- Molecular formula
- C22H26N6O2
- Average molar mass
- 406.5 g/mol
Names & identifiers
- Preferred name
- 1,3-dihydro-1-{trans-4-[4-(5-pyrimidinecarbonyl)piperazin-1-yl]-1-cyclohexyl}-2H-benzimidazol-2-one
- IUPAC
- 3-[4-[4-(pyrimidine-5-carbonyl)piperazin-1-yl]cyclohexyl]-1H-benzimidazol-2-one
Names & synonyms
SCHEMBL8863900SCHEMBL8976700TYKIUJHABZCOET-IYARVYRRSA-N1,3-dihydro-1-{trans-4-[4-(5-pyrimidinecarbonyl)piperazin-1-yl]-1-cyclohexyl}-2H-benzimidazol-2-onetrans-1,3-dihydro-1-{4-[4-(5-pyrimidinecarbonyl)piperazin-1-yl]-1-cyclohexyl}-2H-benzimidazol-2-one
Database identifiers
- PubChem CID
- 21471603
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 623
Related reactions
1 records
Compound notes
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