1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-2-(1-cyclopropyl-piperidin-4-ylcarbamoyl)-1H-benzoimidazole-5-carboxylic acid methyl ester

HCID 68616248
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)c1ccc2c(c1)nc(C(=O)NC1CCN(C3CC3)CC1)n2Cc1cc(-c2ccc(Cl)s2)on1
InChIKey
MQDJLSCBTJGRKB-UHFFFAOYSA-N
Molecular formula
C26H26ClN5O4S
Average molar mass
540 g/mol
Monoisotopic mass
539.1394032

Names & identifiers

Preferred name
1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-2-(1-cyclopropyl-piperidin-4-ylcarbamoyl)-1H-benzoimidazole-5-carboxylic acid methyl ester
IUPAC
methyl 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]benzimidazole-5-carboxylate

Names & synonyms

SCHEMBL3370055MQDJLSCBTJGRKB-UHFFFAOYSA-N1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-2-(1-cyclopropyl-piperidin-4-ylcarbamoyl)-1H-benzoimidazole-5-carboxylic acid methyl ester

Database identifiers

PubChem CID
68616248

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
131 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
8
Heavy atoms
37

Related reactions

1 records
New reaction record

Compound notes

Loading…