M3H

2-phenyl-4,5-dihydro-1~{H}-imidazole

Created:	2019-10-03
Last modified:	2020-03-04

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1 entries where M3H is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	21
Chiral Atom Count	0
Bond Count	22
Aromatic Bond Count	6

2D diagram of M3H

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Chemical Component Summary
Name	2-phenyl-4,5-dihydro-1~{H}-imidazole
Systematic Name (OpenEye OEToolkits)	2-phenyl-4,5-dihydro-1~{H}-imidazole
Formula	C₉ H₁₀ N₂
Molecular Weight	146.189
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	C1CN=C(N1)c2ccccc2
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)C2=NCCN2
Canonical SMILES	CACTVS	3.385	C1CN=C(N1)c2ccccc2
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)C2=NCCN2
InChI	InChI	1.03	InChI=1S/C9H10N2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5H,6-7H2,(H,10,11)
InChIKey	InChI	1.03	BKCCAYLNRIRKDJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL274548
PubChem	13639
ChEMBL	CHEMBL274548
CCDC/CSD	ETILEY
COD	2203485

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