cobalt(2+);6-propan-2-yl-2-[6-(6-propan-2-yl-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;dichloride

C25H25Cl2CoN5 — CID 70011762

IUPACcobalt(2+);6-propan-2-yl-2-[6-(6-propan-2-yl-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;dichloride
SMILESCC(C)C1=CC2=NC(c3cccc(C4=NC5C=CC(C(C)C)=CC5=N4)n3)=NC2C=C1.[Cl-].[Cl-].[Co+2]
InChIInChI=1S/C25H25N5.2ClH.Co/c1-14(2)16-8-10-18-22(12-16)29-24(27-18)20-6-5-7-21(26-20)25-28-19-11-9-17(15(3)4)13-23(19)30-25;;;/h5-15,18-19H,1-4H3;2*1H;/q;;;+2/p-2
InChIKeyDDHKSOHOIGDKCW-UHFFFAOYSA-L
MW525.35 g/mol
LogP-1.47
Rot. Bonds4

About cobalt(2+);6-propan-2-yl-2-[6-(6-propan-2-yl-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;dichloride

cobalt(2+);6-propan-2-yl-2-[6-(6-propan-2-yl-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;dichloride (PubChem CID 70011762) has the molecular formula C25H25Cl2CoN5 and a molecular weight of 525.35 g/mol. Its IUPAC name is cobalt(2+);6-propan-2-yl-2-[6-(6-propan-2-yl-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;dichloride.

Molecular Properties

Compound Namecobalt(2+);6-propan-2-yl-2-[6-(6-propan-2-yl-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;dichloride
PubChem CID70011762
Molecular FormulaC25H25Cl2CoN5
Molecular Weight525.35 g/mol
Exact Mass524.08
IUPAC Namecobalt(2+);6-propan-2-yl-2-[6-(6-propan-2-yl-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;dichloride
SMILESCC(C)C1=CC2=NC(c3cccc(C4=NC5C=CC(C(C)C)=CC5=N4)n3)=NC2C=C1.[Cl-].[Cl-].[Co+2]
InChIInChI=1S/C25H25N5.2ClH.Co/c1-14(2)16-8-10-18-22(12-16)29-24(27-18)20-6-5-7-21(26-20)25-28-19-11-9-17(15(3)4)13-23(19)30-25;;;/h5-15,18-19H,1-4H3;2*1H;/q;;;+2/p-2
InChIKeyDDHKSOHOIGDKCW-UHFFFAOYSA-L
XLogP-1.47
TPSA62.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.35
LogP ≤ 5-1.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze cobalt(2+);6-propan-2-yl-2-[6-(6-propan-2-yl-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;dichloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);6-propan-2-yl-2-[6-(6-propan-2-yl-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;dichloride?
The IUPAC name of cobalt(2+);6-propan-2-yl-2-[6-(6-propan-2-yl-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;dichloride (CID 70011762) is cobalt(2+);6-propan-2-yl-2-[6-(6-propan-2-yl-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;dichloride.
What is the SMILES notation for cobalt(2+);6-propan-2-yl-2-[6-(6-propan-2-yl-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;dichloride?
The canonical SMILES for cobalt(2+);6-propan-2-yl-2-[6-(6-propan-2-yl-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;dichloride is CC(C)C1=CC2=NC(c3cccc(C4=NC5C=CC(C(C)C)=CC5=N4)n3)=NC2C=C1.[Cl-].[Cl-].[Co+2].
What is the InChIKey of cobalt(2+);6-propan-2-yl-2-[6-(6-propan-2-yl-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;dichloride?
The InChIKey is DDHKSOHOIGDKCW-UHFFFAOYSA-L. The full InChI is InChI=1S/C25H25N5.2ClH.Co/c1-14(2)16-8-10-18-22(12-16)29-24(27-18)20-6-5-7-21(26-20)25-28-19-11-9-17(15(3)4)13-23(19)30-25;;;/h5-15,18-19H,1-4H3;2*1H;/q;;;+2/p-2.
What are the key properties of cobalt(2+);6-propan-2-yl-2-[6-(6-propan-2-yl-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;dichloride?
cobalt(2+);6-propan-2-yl-2-[6-(6-propan-2-yl-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;dichloride has a molecular weight of 525.35 g/mol, XLogP of -1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);6-propan-2-yl-2-[6-(6-propan-2-yl-3aH-benzimidazol-2-yl)-2-pyridinyl]-3aH-benzimidazole;dichloride is sourced from PubChem (CID 70011762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).