1H-benzimidazol-2-yl-[4-(3-cyclopentylpyrazin-2-yl)oxyphenyl]methanone;1H-benzimidazol-2-yl-(4-hydroxyphenyl)methanone;2-chloro-3-cyclopentylpyrazine;cyclopentane;2,3-dichloropyrazine;iodocyclopentane;iodozinc(1+)

C60H61Cl3I2N10O4Zn — CID 158686324

About 1H-benzimidazol-2-yl-[4-(3-cyclopentylpyrazin-2-yl)oxyphenyl]methanone;1H-benzimidazol-2-yl-(4-hydroxyphenyl)methanone;2-chloro-3-cyclopentylpyrazine;cyclopentane;2,3-dichloropyrazine;iodocyclopentane;iodozinc(1+)

1H-benzimidazol-2-yl-[4-(3-cyclopentylpyrazin-2-yl)oxyphenyl]methanone;1H-benzimidazol-2-yl-(4-hydroxyphenyl)methanone;2-chloro-3-cyclopentylpyrazine;cyclopentane;2,3-dichloropyrazine;iodocyclopentane;iodozinc(1+) (PubChem CID 158686324) has the molecular formula C60H61Cl3I2N10O4Zn and a molecular weight of 1411.77 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[4-(3-cyclopentylpyrazin-2-yl)oxyphenyl]methanone;1H-benzimidazol-2-yl-(4-hydroxyphenyl)methanone;2-chloro-3-cyclopentylpyrazine;cyclopentane;2,3-dichloropyrazine;iodocyclopentane;iodozinc(1+).

Molecular Properties

• Compound Name: 1H-benzimidazol-2-yl-[4-(3-cyclopentylpyrazin-2-yl)oxyphenyl]methanone;1H-benzimidazol-2-yl-(4-hydroxyphenyl)methanone;2-chloro-3-cyclopentylpyrazine;cyclopentane;2,3-dichloropyrazine;iodocyclopentane;iodozinc(1+)
• PubChem CID: 158686324
• Molecular Formula: C60H61Cl3I2N10O4Zn
• Molecular Weight: 1411.77 g/mol
• Exact Mass: 1408.13
• IUPAC Name: 1H-benzimidazol-2-yl-[4-(3-cyclopentylpyrazin-2-yl)oxyphenyl]methanone;1H-benzimidazol-2-yl-(4-hydroxyphenyl)methanone;2-chloro-3-cyclopentylpyrazine;cyclopentane;2,3-dichloropyrazine;iodocyclopentane;iodozinc(1+)
• SMILES: Clc1nccnc1C1CCCC1.Clc1nccnc1Cl.IC1CCCC1.O=C(c1ccc(O)cc1)c1nc2ccccc2[nH]1.O=C(c1ccc(Oc2nccnc2C2CCCC2)cc1)c1nc2ccccc2[nH]1.[CH-]1CCCC1.[Zn+]I
• InChI: InChI=1S/C23H20N4O2.C14H10N2O2.C9H11ClN2.C5H9I.C5H9.C4H2Cl2N2.HI.Zn/c28-21(22-26-18-7-3-4-8-19(18)27-22)16-9-11-17(12-10-16)29-23-20(24-13-14-25-23)15-5-1-2-6-15;17-10-7-5-9(6-8-10)13(18)14-15-11-3-1-2-4-12(11)16-14;10-9-8(11-5-6-12-9)7-3-1-2-4-7;6-5-3-1-2-4-5;1-2-4-5-3-1;5-3-4(6)8-2-1-7-3;;/h3-4,7-15H,1-2,5-6H2,(H,26,27);1-8,17H,(H,15,16);5-7H,1-4H2;5H,1-4H2;1H,2-5H2;1-2H;1H;/q;;;;-1;;;+2/p-1
• InChIKey: IFUAXQLNUQIHBT-UHFFFAOYSA-M
• XLogP: 17.12
• TPSA: 198.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1411.77
LogP ≤ 5	17.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[4-(3-cyclopentylpyrazin-2-yl)oxyphenyl]methanone;1H-benzimidazol-2-yl-(4-hydroxyphenyl)methanone;2-chloro-3-cyclopentylpyrazine;cyclopentane;2,3-dichloropyrazine;iodocyclopentane;iodozinc(1+)?

The IUPAC name of 1H-benzimidazol-2-yl-[4-(3-cyclopentylpyrazin-2-yl)oxyphenyl]methanone;1H-benzimidazol-2-yl-(4-hydroxyphenyl)methanone;2-chloro-3-cyclopentylpyrazine;cyclopentane;2,3-dichloropyrazine;iodocyclopentane;iodozinc(1+) (CID 158686324) is 1H-benzimidazol-2-yl-[4-(3-cyclopentylpyrazin-2-yl)oxyphenyl]methanone;1H-benzimidazol-2-yl-(4-hydroxyphenyl)methanone;2-chloro-3-cyclopentylpyrazine;cyclopentane;2,3-dichloropyrazine;iodocyclopentane;iodozinc(1+).

What is the SMILES notation for 1H-benzimidazol-2-yl-[4-(3-cyclopentylpyrazin-2-yl)oxyphenyl]methanone;1H-benzimidazol-2-yl-(4-hydroxyphenyl)methanone;2-chloro-3-cyclopentylpyrazine;cyclopentane;2,3-dichloropyrazine;iodocyclopentane;iodozinc(1+)?

The canonical SMILES for 1H-benzimidazol-2-yl-[4-(3-cyclopentylpyrazin-2-yl)oxyphenyl]methanone;1H-benzimidazol-2-yl-(4-hydroxyphenyl)methanone;2-chloro-3-cyclopentylpyrazine;cyclopentane;2,3-dichloropyrazine;iodocyclopentane;iodozinc(1+) is Clc1nccnc1C1CCCC1.Clc1nccnc1Cl.IC1CCCC1.O=C(c1ccc(O)cc1)c1nc2ccccc2[nH]1.O=C(c1ccc(Oc2nccnc2C2CCCC2)cc1)c1nc2ccccc2[nH]1.[CH-]1CCCC1.[Zn+]I.

What is the InChIKey of 1H-benzimidazol-2-yl-[4-(3-cyclopentylpyrazin-2-yl)oxyphenyl]methanone;1H-benzimidazol-2-yl-(4-hydroxyphenyl)methanone;2-chloro-3-cyclopentylpyrazine;cyclopentane;2,3-dichloropyrazine;iodocyclopentane;iodozinc(1+)?

The InChIKey is IFUAXQLNUQIHBT-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H20N4O2.C14H10N2O2.C9H11ClN2.C5H9I.C5H9.C4H2Cl2N2.HI.Zn/c28-21(22-26-18-7-3-4-8-19(18)27-22)16-9-11-17(12-10-16)29-23-20(24-13-14-25-23)15-5-1-2-6-15;17-10-7-5-9(6-8-10)13(18)14-15-11-3-1-2-4-12(11)16-14;10-9-8(11-5-6-12-9)7-3-1-2-4-7;6-5-3-1-2-4-5;1-2-4-5-3-1;5-3-4(6)8-2-1-7-3;;/h3-4,7-15H,1-2,5-6H2,(H,26,27);1-8,17H,(H,15,16);5-7H,1-4H2;5H,1-4H2;1H,2-5H2;1-2H;1H;/q;;;;-1;;;+2/p-1.

What are the key properties of 1H-benzimidazol-2-yl-[4-(3-cyclopentylpyrazin-2-yl)oxyphenyl]methanone;1H-benzimidazol-2-yl-(4-hydroxyphenyl)methanone;2-chloro-3-cyclopentylpyrazine;cyclopentane;2,3-dichloropyrazine;iodocyclopentane;iodozinc(1+)?

1H-benzimidazol-2-yl-[4-(3-cyclopentylpyrazin-2-yl)oxyphenyl]methanone;1H-benzimidazol-2-yl-(4-hydroxyphenyl)methanone;2-chloro-3-cyclopentylpyrazine;cyclopentane;2,3-dichloropyrazine;iodocyclopentane;iodozinc(1+) has a molecular weight of 1411.77 g/mol, XLogP of 17.12, 8 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1H-benzimidazol-2-yl-[4-(3-cyclopentylpyrazin-2-yl)oxyphenyl]methanone;1H-benzimidazol-2-yl-(4-hydroxyphenyl)methanone;2-chloro-3-cyclopentylpyrazine;cyclopentane;2,3-dichloropyrazine;iodocyclopentane;iodozinc(1+) is sourced from PubChem (CID 158686324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).