3TG

1-(1H-imidazol-1-yl)-4,4-diphenylbutan-2-one

Created:	2011-08-26
Last modified:	2011-08-26

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1 entries where 3TG is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	0
Bond Count	42
Aromatic Bond Count	17

2D diagram of 3TG

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Chemical Component Summary
Name	1-(1H-imidazol-1-yl)-4,4-diphenylbutan-2-one
Systematic Name (OpenEye OEToolkits)	1-imidazol-1-yl-4,4-diphenyl-butan-2-one
Formula	C₁₉ H₁₈ N₂ O
Molecular Weight	290.359
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(CC(c1ccccc1)c2ccccc2)Cn3ccnc3
SMILES	CACTVS	3.370	O=C(CC(c1ccccc1)c2ccccc2)Cn3ccnc3
SMILES	OpenEye OEToolkits	1.7.2	c1ccc(cc1)C(CC(=O)Cn2ccnc2)c3ccccc3
Canonical SMILES	CACTVS	3.370	O=C(CC(c1ccccc1)c2ccccc2)Cn3ccnc3
Canonical SMILES	OpenEye OEToolkits	1.7.2	c1ccc(cc1)C(CC(=O)Cn2ccnc2)c3ccccc3
InChI	InChI	1.03	InChI=1S/C19H18N2O/c22-18(14-21-12-11-20-15-21)13-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-12,15,19H,13-14H2
InChIKey	InChI	1.03	SRAWFXXOZVYZRX-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL4166126
PubChem	58580486
ChEMBL	CHEMBL4166126

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