English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

085

Summary

Name:	4-[5-(1,3-benzodioxol-5-yl)-4-(pyridin-2-yl)-1H-imidazol-2-yl]benzamide
Synonyms:	SB431542
Formula:	C22 H16 N4 O3
Formal charge:	0
Formula weight:	384.387 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	4-[5-(1,3-benzodioxol-5-yl)-4-(pyridin-2-yl)-1H-imidazol-2-yl]benzamide
OpenEye OEToolkits	1.7.2	4-[5-(1,3-benzodioxol-5-yl)-4-pyridin-2-yl-1H-imidazol-2-yl]benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(N)c1ccc(cc1)c5nc(c2ncccc2)c(c3ccc4OCOc4c3)n5
InChI	InChI	1.03	InChI=1S/C22H16N4O3/c23-21(27)13-4-6-14(7-5-13)22-25-19(20(26-22)16-3-1-2-10-24-16)15-8-9-17-18(11-15)29-12-28-17/h1-11H,12H2,(H2,23,27)(H,25,26)
InChIKey	InChI	1.03	FHYUGAJXYORMHI-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.370	NC(=O)c1ccc(cc1)c2[nH]c(c3ccc4OCOc4c3)c(n2)c5ccccn5
SMILES	CACTVS	3.370	NC(=O)c1ccc(cc1)c2[nH]c(c3ccc4OCOc4c3)c(n2)c5ccccn5
SMILES_CANONICAL	OpenEye OEToolkits	1.7.2	c1ccnc(c1)c2c([nH]c(n2)c3ccc(cc3)C(=O)N)c4ccc5c(c4)OCO5
SMILES	OpenEye OEToolkits	1.7.2	c1ccnc(c1)c2c([nH]c(n2)c3ccc(cc3)C(=O)N)c4ccc5c(c4)OCO5

218853

PDB entries from 2024-04-24

PDB statistics

PDBj update info

Contact PDBj

numon