1-methyl-3-[[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]methyl]-2H-imidazol-2-ide;osmium

C15H17N4Os-3 — CID 58978570

IUPAC1-methyl-3-[[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]methyl]-2H-imidazol-2-ide;osmium
SMILESCN1C=CN(Cc2[c-]c(N3C=CN(C)[CH-]3)ccc2)[CH-]1.[Os]
InChIInChI=1S/C15H17N4.Os/c1-16-6-8-18(12-16)11-14-4-3-5-15(10-14)19-9-7-17(2)13-19;/h3-9,12-13H,11H2,1-2H3;/q-3;
InChIKeyKUZPVLBRGSNUSH-UHFFFAOYSA-N
MW443.56 g/mol
LogP2.16
Rot. Bonds3

About 1-methyl-3-[[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]methyl]-2H-imidazol-2-ide;osmium

1-methyl-3-[[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]methyl]-2H-imidazol-2-ide;osmium (PubChem CID 58978570) has the molecular formula C15H17N4Os-3 and a molecular weight of 443.56 g/mol. Its IUPAC name is 1-methyl-3-[[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]methyl]-2H-imidazol-2-ide;osmium.

Molecular Properties

Compound Name1-methyl-3-[[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]methyl]-2H-imidazol-2-ide;osmium
PubChem CID58978570
Molecular FormulaC15H17N4Os-3
Molecular Weight443.56 g/mol
Exact Mass445.11
IUPAC Name1-methyl-3-[[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]methyl]-2H-imidazol-2-ide;osmium
SMILESCN1C=CN(Cc2[c-]c(N3C=CN(C)[CH-]3)ccc2)[CH-]1.[Os]
InChIInChI=1S/C15H17N4.Os/c1-16-6-8-18(12-16)11-14-4-3-5-15(10-14)19-9-7-17(2)13-19;/h3-9,12-13H,11H2,1-2H3;/q-3;
InChIKeyKUZPVLBRGSNUSH-UHFFFAOYSA-N
XLogP2.16
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.56
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]methyl]-2H-imidazol-2-ide;osmium?
The IUPAC name of 1-methyl-3-[[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]methyl]-2H-imidazol-2-ide;osmium (CID 58978570) is 1-methyl-3-[[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]methyl]-2H-imidazol-2-ide;osmium.
What is the SMILES notation for 1-methyl-3-[[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]methyl]-2H-imidazol-2-ide;osmium?
The canonical SMILES for 1-methyl-3-[[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]methyl]-2H-imidazol-2-ide;osmium is CN1C=CN(Cc2[c-]c(N3C=CN(C)[CH-]3)ccc2)[CH-]1.[Os].
What is the InChIKey of 1-methyl-3-[[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]methyl]-2H-imidazol-2-ide;osmium?
The InChIKey is KUZPVLBRGSNUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N4.Os/c1-16-6-8-18(12-16)11-14-4-3-5-15(10-14)19-9-7-17(2)13-19;/h3-9,12-13H,11H2,1-2H3;/q-3;.
What are the key properties of 1-methyl-3-[[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]methyl]-2H-imidazol-2-ide;osmium?
1-methyl-3-[[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]methyl]-2H-imidazol-2-ide;osmium has a molecular weight of 443.56 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]methyl]-2H-imidazol-2-ide;osmium is sourced from PubChem (CID 58978570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).