Basic information
- Standard SMILES
COC(=O)c1cccc2[nH]c(NCC3CCN(C(=O)OC(C)(C)C)CC3)nc12- InChIKey
WDAIQWHWWZYVOR-UHFFFAOYSA-N- Molecular formula
- C20H28N4O4
- Average molar mass
- 388.5 g/mol
- Monoisotopic mass
- 388.21105539
Names & identifiers
- Preferred name
- 2-[(1-tert-butoxycarbonyl-piperidin-4-ylmethyl)-amino]-1H-benzimidazole-4-carboxylic acid methyl ester
- IUPAC
- methyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]-1H-benzimidazole-4-carboxylate
Names & synonyms
SCHEMBL4503780WDAIQWHWWZYVOR-UHFFFAOYSA-N2-[(1-tert-butoxycarbonyl-piperidin-4-ylmethyl)-amino]-1H-benzimidazole-4-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 69070065
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 96.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 557
Related reactions
4 records
Compound notes
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