1-benzyl-2-[1-(2-pyrazin-2-ylbenzimidazol-1-yl)ethyl]benzimidazole

C27H22N6 — CID 53383488

IUPAC1-benzyl-2-[1-(2-pyrazin-2-ylbenzimidazol-1-yl)ethyl]benzimidazole
SMILESCC(c1nc2ccccc2n1Cc1ccccc1)n1c(-c2cnccn2)nc2ccccc21
InChIInChI=1S/C27H22N6/c1-19(33-25-14-8-6-12-22(25)31-27(33)23-17-28-15-16-29-23)26-30-21-11-5-7-13-24(21)32(26)18-20-9-3-2-4-10-20/h2-17,19H,18H2,1H3
InChIKeyCUFQFYZCBZEYML-UHFFFAOYSA-N
MW430.52 g/mol
LogP5.50
Rot. Bonds5

About 1-benzyl-2-[1-(2-pyrazin-2-ylbenzimidazol-1-yl)ethyl]benzimidazole

1-benzyl-2-[1-(2-pyrazin-2-ylbenzimidazol-1-yl)ethyl]benzimidazole (PubChem CID 53383488) has the molecular formula C27H22N6 and a molecular weight of 430.52 g/mol. Its IUPAC name is 1-benzyl-2-[1-(2-pyrazin-2-ylbenzimidazol-1-yl)ethyl]benzimidazole.

Molecular Properties

Compound Name1-benzyl-2-[1-(2-pyrazin-2-ylbenzimidazol-1-yl)ethyl]benzimidazole
PubChem CID53383488
Molecular FormulaC27H22N6
Molecular Weight430.52 g/mol
Exact Mass430.19
IUPAC Name1-benzyl-2-[1-(2-pyrazin-2-ylbenzimidazol-1-yl)ethyl]benzimidazole
SMILESCC(c1nc2ccccc2n1Cc1ccccc1)n1c(-c2cnccn2)nc2ccccc21
InChIInChI=1S/C27H22N6/c1-19(33-25-14-8-6-12-22(25)31-27(33)23-17-28-15-16-29-23)26-30-21-11-5-7-13-24(21)32(26)18-20-9-3-2-4-10-20/h2-17,19H,18H2,1H3
InChIKeyCUFQFYZCBZEYML-UHFFFAOYSA-N
XLogP5.50
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.52
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-[1-(2-pyrazin-2-ylbenzimidazol-1-yl)ethyl]benzimidazole?
The IUPAC name of 1-benzyl-2-[1-(2-pyrazin-2-ylbenzimidazol-1-yl)ethyl]benzimidazole (CID 53383488) is 1-benzyl-2-[1-(2-pyrazin-2-ylbenzimidazol-1-yl)ethyl]benzimidazole.
What is the SMILES notation for 1-benzyl-2-[1-(2-pyrazin-2-ylbenzimidazol-1-yl)ethyl]benzimidazole?
The canonical SMILES for 1-benzyl-2-[1-(2-pyrazin-2-ylbenzimidazol-1-yl)ethyl]benzimidazole is CC(c1nc2ccccc2n1Cc1ccccc1)n1c(-c2cnccn2)nc2ccccc21.
What is the InChIKey of 1-benzyl-2-[1-(2-pyrazin-2-ylbenzimidazol-1-yl)ethyl]benzimidazole?
The InChIKey is CUFQFYZCBZEYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N6/c1-19(33-25-14-8-6-12-22(25)31-27(33)23-17-28-15-16-29-23)26-30-21-11-5-7-13-24(21)32(26)18-20-9-3-2-4-10-20/h2-17,19H,18H2,1H3.
What are the key properties of 1-benzyl-2-[1-(2-pyrazin-2-ylbenzimidazol-1-yl)ethyl]benzimidazole?
1-benzyl-2-[1-(2-pyrazin-2-ylbenzimidazol-1-yl)ethyl]benzimidazole has a molecular weight of 430.52 g/mol, XLogP of 5.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-[1-(2-pyrazin-2-ylbenzimidazol-1-yl)ethyl]benzimidazole is sourced from PubChem (CID 53383488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).