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Summary Geometry Related PDB entries

6RA

Summary

Name:	N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-benzimidazol-2-amine
Formula:	C17 H17 N3
Formal charge:	0
Formula weight:	263.337 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-benzimidazol-2-amine
OpenEye OEToolkits	2.0.7	~{N}-[(1~{R})-1,2,3,4-tetrahydronaphthalen-1-yl]-1~{H}-benzimidazol-2-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1cccc2[NH]c(nc12)NC1CCCc2ccccc21
InChI	InChI	1.06	InChI=1S/C17H17N3/c1-2-8-13-12(6-1)7-5-11-14(13)18-17-19-15-9-3-4-10-16(15)20-17/h1-4,6,8-10,14H,5,7,11H2,(H2,18,19,20)/t14-/m1/s1
InChIKey	InChI	1.06	XZIZUQSOFMLIIR-CQSZACIVSA-N
SMILES_CANONICAL	CACTVS	3.385	C1C[C@@H](Nc2[nH]c3ccccc3n2)c4ccccc4C1
SMILES	CACTVS	3.385	C1C[CH](Nc2[nH]c3ccccc3n2)c4ccccc4C1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)CCC[C@H]2Nc3[nH]c4ccccc4n3
SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)CCCC2Nc3[nH]c4ccccc4n3

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PDB entries from 2024-07-17

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