1-methyl-2-(1-methylimidazol-2-yl)imidazole;bis(4-methyl-5-(2-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+)

C42H36F6N10Os — CID 140775464

IUPAC1-methyl-2-(1-methylimidazol-2-yl)imidazole;bis(4-methyl-5-(2-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+)
SMILESCc1ccccc1-c1cnc(-c2cc(C(F)(F)F)n[n-]2)cc1C.Cc1ccccc1-c1cnc(-c2cc(C(F)(F)F)n[n-]2)cc1C.Cn1ccnc1-c1nccn1C.[Os+2]
InChIInChI=1S/2C17H13F3N3.C8H10N4.Os/c2*1-10-5-3-4-6-12(10)13-9-21-14(7-11(13)2)15-8-16(23-22-15)17(18,19)20;1-11-5-3-9-7(11)8-10-4-6-12(8)2;/h2*3-9H,1-2H3;3-6H,1-2H3;/q2*-1;;+2
InChIKeyPGSHNFNXVNOXEO-UHFFFAOYSA-N
MW985.04 g/mol
LogP9.62
Rot. Bonds5

About 1-methyl-2-(1-methylimidazol-2-yl)imidazole;bis(4-methyl-5-(2-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+)

1-methyl-2-(1-methylimidazol-2-yl)imidazole;bis(4-methyl-5-(2-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+) (PubChem CID 140775464) has the molecular formula C42H36F6N10Os and a molecular weight of 985.04 g/mol. Its IUPAC name is 1-methyl-2-(1-methylimidazol-2-yl)imidazole;bis(4-methyl-5-(2-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+).

Molecular Properties

Compound Name1-methyl-2-(1-methylimidazol-2-yl)imidazole;bis(4-methyl-5-(2-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+)
PubChem CID140775464
Molecular FormulaC42H36F6N10Os
Molecular Weight985.04 g/mol
Exact Mass986.26
IUPAC Name1-methyl-2-(1-methylimidazol-2-yl)imidazole;bis(4-methyl-5-(2-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+)
SMILESCc1ccccc1-c1cnc(-c2cc(C(F)(F)F)n[n-]2)cc1C.Cc1ccccc1-c1cnc(-c2cc(C(F)(F)F)n[n-]2)cc1C.Cn1ccnc1-c1nccn1C.[Os+2]
InChIInChI=1S/2C17H13F3N3.C8H10N4.Os/c2*1-10-5-3-4-6-12(10)13-9-21-14(7-11(13)2)15-8-16(23-22-15)17(18,19)20;1-11-5-3-9-7(11)8-10-4-6-12(8)2;/h2*3-9H,1-2H3;3-6H,1-2H3;/q2*-1;;+2
InChIKeyPGSHNFNXVNOXEO-UHFFFAOYSA-N
XLogP9.62
TPSA115.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500985.04
LogP ≤ 59.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(1-methylimidazol-2-yl)imidazole;bis(4-methyl-5-(2-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+)?
The IUPAC name of 1-methyl-2-(1-methylimidazol-2-yl)imidazole;bis(4-methyl-5-(2-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+) (CID 140775464) is 1-methyl-2-(1-methylimidazol-2-yl)imidazole;bis(4-methyl-5-(2-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+).
What is the SMILES notation for 1-methyl-2-(1-methylimidazol-2-yl)imidazole;bis(4-methyl-5-(2-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+)?
The canonical SMILES for 1-methyl-2-(1-methylimidazol-2-yl)imidazole;bis(4-methyl-5-(2-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+) is Cc1ccccc1-c1cnc(-c2cc(C(F)(F)F)n[n-]2)cc1C.Cc1ccccc1-c1cnc(-c2cc(C(F)(F)F)n[n-]2)cc1C.Cn1ccnc1-c1nccn1C.[Os+2].
What is the InChIKey of 1-methyl-2-(1-methylimidazol-2-yl)imidazole;bis(4-methyl-5-(2-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+)?
The InChIKey is PGSHNFNXVNOXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H13F3N3.C8H10N4.Os/c2*1-10-5-3-4-6-12(10)13-9-21-14(7-11(13)2)15-8-16(23-22-15)17(18,19)20;1-11-5-3-9-7(11)8-10-4-6-12(8)2;/h2*3-9H,1-2H3;3-6H,1-2H3;/q2*-1;;+2.
What are the key properties of 1-methyl-2-(1-methylimidazol-2-yl)imidazole;bis(4-methyl-5-(2-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+)?
1-methyl-2-(1-methylimidazol-2-yl)imidazole;bis(4-methyl-5-(2-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+) has a molecular weight of 985.04 g/mol, XLogP of 9.62, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(1-methylimidazol-2-yl)imidazole;bis(4-methyl-5-(2-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+) is sourced from PubChem (CID 140775464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).