1-(2,3,4-trimethoxybenzoyl)-3-(2-(4-(1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-phenylpyrrolidine

HCID 9873096
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Basic information

Standard SMILES
COc1ccc(C(=O)N2CCC(CCN3CCC(Nc4nc5ccccc5[nH]4)CC3)(c3ccccc3)C2)c(OC)c1OC
InChIKey
SWTQBQPJBVWRAJ-UHFFFAOYSA-N
Molecular formula
C34H41N5O4
Average molar mass
583.7 g/mol
Monoisotopic mass
583.31585481

Names & identifiers

Preferred name
1-(2,3,4-trimethoxybenzoyl)-3-(2-(4-(1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-phenylpyrrolidine
IUPAC
[3-[2-[4-(1H-benzimidazol-2-ylamino)piperidin-1-yl]ethyl]-3-phenylpyrrolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone

Names & synonyms

SCHEMBL6991794SWTQBQPJBVWRAJ-UHFFFAOYSA-N1-(2,3,4-trimethoxybenzoyl)-3-(2-(4-(1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-phenylpyrrolidine

Database identifiers

PubChem CID
9873096

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
92 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
10
Heavy atoms
43

Related reactions

2 records
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Linked notes

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