2-[1-(1H-benzimidazol-2-yl)perylen-2-yl]-1H-benzimidazole

C34H20N4 — CID 23367558

IUPAC2-[1-(1H-benzimidazol-2-yl)perylen-2-yl]-1H-benzimidazole
SMILESc1ccc2[nH]c(-c3cc4cccc5c6cccc7cccc(c(c3-c3nc8ccccc8[nH]3)c45)c76)nc2c1
InChIInChI=1S/C34H20N4/c1-2-15-26-25(14-1)35-33(36-26)24-18-20-10-7-12-22-21-11-5-8-19-9-6-13-23(29(19)21)31(30(20)22)32(24)34-37-27-16-3-4-17-28(27)38-34/h1-18H,(H,35,36)(H,37,38)
InChIKeyAATQERYEQLLWPX-UHFFFAOYSA-N
MW484.56 g/mol
LogP8.82
Rot. Bonds2

About 2-[1-(1H-benzimidazol-2-yl)perylen-2-yl]-1H-benzimidazole

2-[1-(1H-benzimidazol-2-yl)perylen-2-yl]-1H-benzimidazole (PubChem CID 23367558) has the molecular formula C34H20N4 and a molecular weight of 484.56 g/mol. Its IUPAC name is 2-[1-(1H-benzimidazol-2-yl)perylen-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-(1H-benzimidazol-2-yl)perylen-2-yl]-1H-benzimidazole
PubChem CID23367558
Molecular FormulaC34H20N4
Molecular Weight484.56 g/mol
Exact Mass484.17
IUPAC Name2-[1-(1H-benzimidazol-2-yl)perylen-2-yl]-1H-benzimidazole
SMILESc1ccc2[nH]c(-c3cc4cccc5c6cccc7cccc(c(c3-c3nc8ccccc8[nH]3)c45)c76)nc2c1
InChIInChI=1S/C34H20N4/c1-2-15-26-25(14-1)35-33(36-26)24-18-20-10-7-12-22-21-11-5-8-19-9-6-13-23(29(19)21)31(30(20)22)32(24)34-37-27-16-3-4-17-28(27)38-34/h1-18H,(H,35,36)(H,37,38)
InChIKeyAATQERYEQLLWPX-UHFFFAOYSA-N
XLogP8.82
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.56
LogP ≤ 58.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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bis(2-(1H-benzimidazol-2-yl)phenolate);cobalt(2+)
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CID 20700346
CID 20700346
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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-benzimidazol-2-yl)perylen-2-yl]-1H-benzimidazole?
The IUPAC name of 2-[1-(1H-benzimidazol-2-yl)perylen-2-yl]-1H-benzimidazole (CID 23367558) is 2-[1-(1H-benzimidazol-2-yl)perylen-2-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[1-(1H-benzimidazol-2-yl)perylen-2-yl]-1H-benzimidazole?
The canonical SMILES for 2-[1-(1H-benzimidazol-2-yl)perylen-2-yl]-1H-benzimidazole is c1ccc2[nH]c(-c3cc4cccc5c6cccc7cccc(c(c3-c3nc8ccccc8[nH]3)c45)c76)nc2c1.
What is the InChIKey of 2-[1-(1H-benzimidazol-2-yl)perylen-2-yl]-1H-benzimidazole?
The InChIKey is AATQERYEQLLWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20N4/c1-2-15-26-25(14-1)35-33(36-26)24-18-20-10-7-12-22-21-11-5-8-19-9-6-13-23(29(19)21)31(30(20)22)32(24)34-37-27-16-3-4-17-28(27)38-34/h1-18H,(H,35,36)(H,37,38).
What are the key properties of 2-[1-(1H-benzimidazol-2-yl)perylen-2-yl]-1H-benzimidazole?
2-[1-(1H-benzimidazol-2-yl)perylen-2-yl]-1H-benzimidazole has a molecular weight of 484.56 g/mol, XLogP of 8.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-benzimidazol-2-yl)perylen-2-yl]-1H-benzimidazole is sourced from PubChem (CID 23367558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).