6-(1H-imidazol-2-yl)-2-[5-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-2-yl]-1H-benzimidazole

C24H17N9 — CID 10410486

IUPAC6-(1H-imidazol-2-yl)-2-[5-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-2-yl]-1H-benzimidazole
SMILESc1c[nH]c(-c2ccc3nc(-c4ccc(-c5nc6ccc(-c7ncc[nH]7)cc6[nH]5)[nH]4)[nH]c3c2)n1
InChIInChI=1S/C24H17N9/c1-3-15-19(11-13(1)21-25-7-8-26-21)32-23(30-15)17-5-6-18(29-17)24-31-16-4-2-14(12-20(16)33-24)22-27-9-10-28-22/h1-12,29H,(H,25,26)(H,27,28)(H,30,32)(H,31,33)
InChIKeyAAZJHWIZPGIKLN-UHFFFAOYSA-N
MW431.46 g/mol
LogP4.88
Rot. Bonds4

About 6-(1H-imidazol-2-yl)-2-[5-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-2-yl]-1H-benzimidazole

6-(1H-imidazol-2-yl)-2-[5-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-2-yl]-1H-benzimidazole (PubChem CID 10410486) has the molecular formula C24H17N9 and a molecular weight of 431.46 g/mol. Its IUPAC name is 6-(1H-imidazol-2-yl)-2-[5-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-(1H-imidazol-2-yl)-2-[5-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-2-yl]-1H-benzimidazole
PubChem CID10410486
Molecular FormulaC24H17N9
Molecular Weight431.46 g/mol
Exact Mass431.16
IUPAC Name6-(1H-imidazol-2-yl)-2-[5-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-2-yl]-1H-benzimidazole
SMILESc1c[nH]c(-c2ccc3nc(-c4ccc(-c5nc6ccc(-c7ncc[nH]7)cc6[nH]5)[nH]4)[nH]c3c2)n1
InChIInChI=1S/C24H17N9/c1-3-15-19(11-13(1)21-25-7-8-26-21)32-23(30-15)17-5-6-18(29-17)24-31-16-4-2-14(12-20(16)33-24)22-27-9-10-28-22/h1-12,29H,(H,25,26)(H,27,28)(H,30,32)(H,31,33)
InChIKeyAAZJHWIZPGIKLN-UHFFFAOYSA-N
XLogP4.88
TPSA130.51 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 54.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-imidazol-2-yl)-2-[5-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-2-yl]-1H-benzimidazole?
The IUPAC name of 6-(1H-imidazol-2-yl)-2-[5-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-2-yl]-1H-benzimidazole (CID 10410486) is 6-(1H-imidazol-2-yl)-2-[5-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-2-yl]-1H-benzimidazole.
What is the SMILES notation for 6-(1H-imidazol-2-yl)-2-[5-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-2-yl]-1H-benzimidazole?
The canonical SMILES for 6-(1H-imidazol-2-yl)-2-[5-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-2-yl]-1H-benzimidazole is c1c[nH]c(-c2ccc3nc(-c4ccc(-c5nc6ccc(-c7ncc[nH]7)cc6[nH]5)[nH]4)[nH]c3c2)n1.
What is the InChIKey of 6-(1H-imidazol-2-yl)-2-[5-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-2-yl]-1H-benzimidazole?
The InChIKey is AAZJHWIZPGIKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N9/c1-3-15-19(11-13(1)21-25-7-8-26-21)32-23(30-15)17-5-6-18(29-17)24-31-16-4-2-14(12-20(16)33-24)22-27-9-10-28-22/h1-12,29H,(H,25,26)(H,27,28)(H,30,32)(H,31,33).
What are the key properties of 6-(1H-imidazol-2-yl)-2-[5-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-2-yl]-1H-benzimidazole?
6-(1H-imidazol-2-yl)-2-[5-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-2-yl]-1H-benzimidazole has a molecular weight of 431.46 g/mol, XLogP of 4.88, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-imidazol-2-yl)-2-[5-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-2-yl]-1H-benzimidazole is sourced from PubChem (CID 10410486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).