carbanide;[5-chloro-2-[(2'-methylidenespiro[cyclobutane-1,3'-pyrrolo[2,3-c]pyridine]-1'-yl)methyl]benzimidazol-1-yl]azanide;ethane;yttrium

C22H26ClN5Y-2 — CID 156649643

About carbanide;[5-chloro-2-[(2'-methylidenespiro[cyclobutane-1,3'-pyrrolo[2,3-c]pyridine]-1'-yl)methyl]benzimidazol-1-yl]azanide;ethane;yttrium

carbanide;[5-chloro-2-[(2'-methylidenespiro[cyclobutane-1,3'-pyrrolo[2,3-c]pyridine]-1'-yl)methyl]benzimidazol-1-yl]azanide;ethane;yttrium (PubChem CID 156649643) has the molecular formula C22H26ClN5Y-2 and a molecular weight of 484.84 g/mol. Its IUPAC name is carbanide;[5-chloro-2-[(2'-methylidenespiro[cyclobutane-1,3'-pyrrolo[2,3-c]pyridine]-1'-yl)methyl]benzimidazol-1-yl]azanide;ethane;yttrium.

Molecular Properties

• Compound Name: carbanide;[5-chloro-2-[(2'-methylidenespiro[cyclobutane-1,3'-pyrrolo[2,3-c]pyridine]-1'-yl)methyl]benzimidazol-1-yl]azanide;ethane;yttrium
• PubChem CID: 156649643
• Molecular Formula: C22H26ClN5Y-2
• Molecular Weight: 484.84 g/mol
• Exact Mass: 484.09
• IUPAC Name: carbanide;[5-chloro-2-[(2'-methylidenespiro[cyclobutane-1,3'-pyrrolo[2,3-c]pyridine]-1'-yl)methyl]benzimidazol-1-yl]azanide;ethane;yttrium
• SMILES: C=C1N(Cc2nc3cc(Cl)ccc3n2[NH-])c2cnccc2C12CCC2.CC.[CH3-].[Y]
• InChI: InChI=1S/C19H17ClN5.C2H6.CH3.Y/c1-12-19(6-2-7-19)14-5-8-22-10-17(14)24(12)11-18-23-15-9-13(20)3-4-16(15)25(18)21;1-2;;/h3-5,8-10,21H,1-2,6-7,11H2;1-2H3;1H3;/q-1;;-1
• InChIKey: NHQYJWJRDBLLNS-UHFFFAOYSA-N
• XLogP: 6.33
• TPSA: 57.75 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.84
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbanide;[5-chloro-2-[(2'-methylidenespiro[cyclobutane-1,3'-pyrrolo[2,3-c]pyridine]-1'-yl)methyl]benzimidazol-1-yl]azanide;ethane;yttrium?

The IUPAC name of carbanide;[5-chloro-2-[(2'-methylidenespiro[cyclobutane-1,3'-pyrrolo[2,3-c]pyridine]-1'-yl)methyl]benzimidazol-1-yl]azanide;ethane;yttrium (CID 156649643) is carbanide;[5-chloro-2-[(2'-methylidenespiro[cyclobutane-1,3'-pyrrolo[2,3-c]pyridine]-1'-yl)methyl]benzimidazol-1-yl]azanide;ethane;yttrium.

What is the SMILES notation for carbanide;[5-chloro-2-[(2'-methylidenespiro[cyclobutane-1,3'-pyrrolo[2,3-c]pyridine]-1'-yl)methyl]benzimidazol-1-yl]azanide;ethane;yttrium?

The canonical SMILES for carbanide;[5-chloro-2-[(2'-methylidenespiro[cyclobutane-1,3'-pyrrolo[2,3-c]pyridine]-1'-yl)methyl]benzimidazol-1-yl]azanide;ethane;yttrium is C=C1N(Cc2nc3cc(Cl)ccc3n2[NH-])c2cnccc2C12CCC2.CC.[CH3-].[Y].

What is the InChIKey of carbanide;[5-chloro-2-[(2'-methylidenespiro[cyclobutane-1,3'-pyrrolo[2,3-c]pyridine]-1'-yl)methyl]benzimidazol-1-yl]azanide;ethane;yttrium?

The InChIKey is NHQYJWJRDBLLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN5.C2H6.CH3.Y/c1-12-19(6-2-7-19)14-5-8-22-10-17(14)24(12)11-18-23-15-9-13(20)3-4-16(15)25(18)21;1-2;;/h3-5,8-10,21H,1-2,6-7,11H2;1-2H3;1H3;/q-1;;-1;.

What are the key properties of carbanide;[5-chloro-2-[(2'-methylidenespiro[cyclobutane-1,3'-pyrrolo[2,3-c]pyridine]-1'-yl)methyl]benzimidazol-1-yl]azanide;ethane;yttrium?

carbanide;[5-chloro-2-[(2'-methylidenespiro[cyclobutane-1,3'-pyrrolo[2,3-c]pyridine]-1'-yl)methyl]benzimidazol-1-yl]azanide;ethane;yttrium has a molecular weight of 484.84 g/mol, XLogP of 6.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;[5-chloro-2-[(2'-methylidenespiro[cyclobutane-1,3'-pyrrolo[2,3-c]pyridine]-1'-yl)methyl]benzimidazol-1-yl]azanide;ethane;yttrium is sourced from PubChem (CID 156649643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).