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Summary Geometry Related PDB entries

A1ASS

Summary

Name:	N-[(2P)-2-(1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide
Formula:	C15 H14 F3 N3 O
Formal charge:	0
Formula weight:	309.286 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-[(2P)-2-(1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide
OpenEye OEToolkits	2.0.7	~{N}-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	FC(F)(F)c1cc(NC(=O)C2CCC2)c(cc1)n1ccnc1
InChI	InChI	1.06	InChI=1S/C15H14F3N3O/c16-15(17,18)11-4-5-13(21-7-6-19-9-21)12(8-11)20-14(22)10-2-1-3-10/h4-10H,1-3H2,(H,20,22)
InChIKey	InChI	1.06	BYMJBQWJAXDGIX-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	FC(F)(F)c1ccc(n2ccnc2)c(NC(=O)C3CCC3)c1
SMILES	CACTVS	3.385	FC(F)(F)c1ccc(n2ccnc2)c(NC(=O)C3CCC3)c1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(c(cc1C(F)(F)F)NC(=O)C2CCC2)n3ccnc3
SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1C(F)(F)F)NC(=O)C2CCC2)n3ccnc3

250835

PDB entries from 2026-03-18

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