2-Methyl-N-((1R,2S)-2-{[(3aR,4S,9bR)-4-propyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinolin-1-yl]carbonyl}cyclohexyl)-1H-benzimidazole-5-carboxamide

HCID 178448166
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Basic information

Standard SMILES
CCC[C@@H]1Nc2ccccc2[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCCC[C@H]1NC(=O)c1ccc2[nH]c(C)nc2c1
InChIKey
BHYDIFHAROFHIZ-NEFLSZPGSA-N
Molecular formula
C30H37N5O2
Average molar mass
499.6 g/mol
Monoisotopic mass
499.29472544

Names & identifiers

Preferred name
2-Methyl-N-((1R,2S)-2-{[(3aR,4S,9bR)-4-propyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinolin-1-yl]carbonyl}cyclohexyl)-1H-benzimidazole-5-carboxamide
IUPAC
N-[(1R,2S)-2-[(3aR,4S,9bR)-4-propyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinoline-1-carbonyl]cyclohexyl]-2-methyl-3H-benzimidazole-5-carboxamide

Names & synonyms

SCHEMBL1756753BHYDIFHAROFHIZ-NEFLSZPGSA-N2-Methyl-N-((1R,2S)-2-{[(3aR,4S,9bR)-4-propyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinolin-1-yl]carbonyl}cyclohexyl)-1H-benzimidazole-5-carboxamide

Database identifiers

PubChem CID
11670548

Properties

Computed structural properties

XLogP
5.6
Topological polar surface area
90.1 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
37

Related reactions

3 records
New reaction record

Compound notes

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