6-(1H-imidazol-2-yl)-2-[2-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]-1H-benzimidazole

C24H17N9 — CID 141117816

IUPAC6-(1H-imidazol-2-yl)-2-[2-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]-1H-benzimidazole
SMILESc1c[nH]c(-c2ccc3nc(-c4cc[nH]c4-c4nc5ccc(-c6ncc[nH]6)cc5[nH]4)[nH]c3c2)n1
InChIInChI=1S/C24H17N9/c1-3-16-18(11-13(1)21-26-7-8-27-21)32-23(30-16)15-5-6-25-20(15)24-31-17-4-2-14(12-19(17)33-24)22-28-9-10-29-22/h1-12,25H,(H,26,27)(H,28,29)(H,30,32)(H,31,33)
InChIKeyOKEWZFWCCICWQH-UHFFFAOYSA-N
MW431.46 g/mol
LogP4.88
Rot. Bonds4

About 6-(1H-imidazol-2-yl)-2-[2-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]-1H-benzimidazole

6-(1H-imidazol-2-yl)-2-[2-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]-1H-benzimidazole (PubChem CID 141117816) has the molecular formula C24H17N9 and a molecular weight of 431.46 g/mol. Its IUPAC name is 6-(1H-imidazol-2-yl)-2-[2-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-(1H-imidazol-2-yl)-2-[2-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]-1H-benzimidazole
PubChem CID141117816
Molecular FormulaC24H17N9
Molecular Weight431.46 g/mol
Exact Mass431.16
IUPAC Name6-(1H-imidazol-2-yl)-2-[2-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]-1H-benzimidazole
SMILESc1c[nH]c(-c2ccc3nc(-c4cc[nH]c4-c4nc5ccc(-c6ncc[nH]6)cc5[nH]4)[nH]c3c2)n1
InChIInChI=1S/C24H17N9/c1-3-16-18(11-13(1)21-26-7-8-27-21)32-23(30-16)15-5-6-25-20(15)24-31-17-4-2-14(12-19(17)33-24)22-28-9-10-29-22/h1-12,25H,(H,26,27)(H,28,29)(H,30,32)(H,31,33)
InChIKeyOKEWZFWCCICWQH-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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Related Compounds

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6-(1H-imidazol-2-yl)-2-[2-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]ethenyl]-1H-benzimidazole
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2-[2-(1H-imidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid
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2-[2-ethyl-4-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]butyl]-6-(1H-imidazol-2-yl)-1H-benzimidazole
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2-[6-[2-(2-hydroxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenol
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[4-[5-[4-[6-(1H-imidazol-2-yl)-1H-benzimidazole-2-carbonyl]phenyl]-1-methylpyrrol-2-yl]phenyl]-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of 6-(1H-imidazol-2-yl)-2-[2-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]-1H-benzimidazole?
The IUPAC name of 6-(1H-imidazol-2-yl)-2-[2-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]-1H-benzimidazole (CID 141117816) is 6-(1H-imidazol-2-yl)-2-[2-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]-1H-benzimidazole.
What is the SMILES notation for 6-(1H-imidazol-2-yl)-2-[2-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]-1H-benzimidazole?
The canonical SMILES for 6-(1H-imidazol-2-yl)-2-[2-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]-1H-benzimidazole is c1c[nH]c(-c2ccc3nc(-c4cc[nH]c4-c4nc5ccc(-c6ncc[nH]6)cc5[nH]4)[nH]c3c2)n1.
What is the InChIKey of 6-(1H-imidazol-2-yl)-2-[2-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]-1H-benzimidazole?
The InChIKey is OKEWZFWCCICWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N9/c1-3-16-18(11-13(1)21-26-7-8-27-21)32-23(30-16)15-5-6-25-20(15)24-31-17-4-2-14(12-19(17)33-24)22-28-9-10-29-22/h1-12,25H,(H,26,27)(H,28,29)(H,30,32)(H,31,33).
What are the key properties of 6-(1H-imidazol-2-yl)-2-[2-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]-1H-benzimidazole?
6-(1H-imidazol-2-yl)-2-[2-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-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-[2-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]-1H-benzimidazole is sourced from PubChem (CID 141117816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).