1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;bis(dichloro-[[2-(N-methylanilino)phenyl]methylidene]ruthenium)

C82H102Cl4N6Ru2-2 — CID 158157559

About 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;bis(dichloro-[[2-(N-methylanilino)phenyl]methylidene]ruthenium)

1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;bis(dichloro-[[2-(N-methylanilino)phenyl]methylidene]ruthenium) (PubChem CID 158157559) has the molecular formula C82H102Cl4N6Ru2-2 and a molecular weight of 1515.71 g/mol. Its IUPAC name is 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;bis(dichloro-[[2-(N-methylanilino)phenyl]methylidene]ruthenium).

Molecular Properties

• Compound Name: 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;bis(dichloro-[[2-(N-methylanilino)phenyl]methylidene]ruthenium)
• PubChem CID: 158157559
• Molecular Formula: C82H102Cl4N6Ru2-2
• Molecular Weight: 1515.71 g/mol
• Exact Mass: 1514.50
• IUPAC Name: 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;bis(dichloro-[[2-(N-methylanilino)phenyl]methylidene]ruthenium)
• SMILES: CC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C)[CH-]1.CC(C)c1cccc(C(C)C)c1N1[CH-]N(c2c(C(C)C)cccc2C(C)C)CC1.CN(c1ccccc1)c1ccccc1C=[Ru](Cl)Cl.CN(c1ccccc1)c1ccccc1C=[Ru](Cl)Cl
• InChI: InChI=1S/C27H39N2.C27H37N2.2C14H13N.4ClH.2Ru/c2*1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;2*1-12-8-6-7-11-14(12)15(2)13-9-4-3-5-10-13;;;;;;/h9-14,17-21H,15-16H2,1-8H3;9-21H,1-8H3;2*1,3-11H,2H3;4*1H;;/q2*-1;;;;;;;2*+2/p-4
• InChIKey: BHMNMVLNHRPKRK-UHFFFAOYSA-J
• XLogP: 24.78
• TPSA: 19.44 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 18
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1515.71
LogP ≤ 5	24.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;bis(dichloro-[[2-(N-methylanilino)phenyl]methylidene]ruthenium)?

The IUPAC name of 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;bis(dichloro-[[2-(N-methylanilino)phenyl]methylidene]ruthenium) (CID 158157559) is 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;bis(dichloro-[[2-(N-methylanilino)phenyl]methylidene]ruthenium).

What is the SMILES notation for 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;bis(dichloro-[[2-(N-methylanilino)phenyl]methylidene]ruthenium)?

The canonical SMILES for 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;bis(dichloro-[[2-(N-methylanilino)phenyl]methylidene]ruthenium) is CC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C)[CH-]1.CC(C)c1cccc(C(C)C)c1N1[CH-]N(c2c(C(C)C)cccc2C(C)C)CC1.CN(c1ccccc1)c1ccccc1C=[Ru](Cl)Cl.CN(c1ccccc1)c1ccccc1C=[Ru](Cl)Cl.

What is the InChIKey of 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;bis(dichloro-[[2-(N-methylanilino)phenyl]methylidene]ruthenium)?

The InChIKey is BHMNMVLNHRPKRK-UHFFFAOYSA-J. The full InChI is InChI=1S/C27H39N2.C27H37N2.2C14H13N.4ClH.2Ru/c2*1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;2*1-12-8-6-7-11-14(12)15(2)13-9-4-3-5-10-13;;;;;;/h9-14,17-21H,15-16H2,1-8H3;9-21H,1-8H3;2*1,3-11H,2H3;4*1H;;/q2*-1;;;;;;;2*+2/p-4.

What are the key properties of 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;bis(dichloro-[[2-(N-methylanilino)phenyl]methylidene]ruthenium)?

1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;bis(dichloro-[[2-(N-methylanilino)phenyl]methylidene]ruthenium) has a molecular weight of 1515.71 g/mol, XLogP of 24.78, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;bis(dichloro-[[2-(N-methylanilino)phenyl]methylidene]ruthenium) is sourced from PubChem (CID 158157559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).