4-(1-Dimethylaminomethyl-1H-benzoimidazole-5-carbonyl)-piperazine-1-carboxylic acid tert-butyl ester

HCID 66599417
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Basic information

Standard SMILES
CN(C)Cn1cnc2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc21
InChIKey
XZTLHSBUELOLQP-UHFFFAOYSA-N
Molecular formula
C20H29N5O3
Average molar mass
387.5 g/mol
Monoisotopic mass
387.2270398

Names & identifiers

Preferred name
4-(1-Dimethylaminomethyl-1H-benzoimidazole-5-carbonyl)-piperazine-1-carboxylic acid tert-butyl ester
IUPAC
tert-butyl 4-[1-[(dimethylamino)methyl]benzimidazole-5-carbonyl]piperazine-1-carboxylate

Names & synonyms

SCHEMBL110178XZTLHSBUELOLQP-UHFFFAOYSA-N4-(1-Dimethylaminomethyl-1H-benzoimidazole-5-carbonyl)-piperazine-1-carboxylic acid tert-butyl ester

Database identifiers

PubChem CID
66599417

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
70.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
28

Related reactions

2 records
New reaction record

Linked notes

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