1-prop-2-enyl-2-[(2-pyrazin-2-ylbenzimidazol-1-yl)methyl]benzimidazole

C22H18N6 — CID 53300340

IUPAC1-prop-2-enyl-2-[(2-pyrazin-2-ylbenzimidazol-1-yl)methyl]benzimidazole
SMILESC=CCn1c(Cn2c(-c3cnccn3)nc3ccccc32)nc2ccccc21
InChIInChI=1S/C22H18N6/c1-2-13-27-19-9-5-3-7-16(19)25-21(27)15-28-20-10-6-4-8-17(20)26-22(28)18-14-23-11-12-24-18/h2-12,14H,1,13,15H2
InChIKeyNFMWKHNWIYKQRD-UHFFFAOYSA-N
MW366.43 g/mol
LogP4.08
Rot. Bonds5

About 1-prop-2-enyl-2-[(2-pyrazin-2-ylbenzimidazol-1-yl)methyl]benzimidazole

1-prop-2-enyl-2-[(2-pyrazin-2-ylbenzimidazol-1-yl)methyl]benzimidazole (PubChem CID 53300340) has the molecular formula C22H18N6 and a molecular weight of 366.43 g/mol. Its IUPAC name is 1-prop-2-enyl-2-[(2-pyrazin-2-ylbenzimidazol-1-yl)methyl]benzimidazole.

Molecular Properties

Compound Name1-prop-2-enyl-2-[(2-pyrazin-2-ylbenzimidazol-1-yl)methyl]benzimidazole
PubChem CID53300340
Molecular FormulaC22H18N6
Molecular Weight366.43 g/mol
Exact Mass366.16
IUPAC Name1-prop-2-enyl-2-[(2-pyrazin-2-ylbenzimidazol-1-yl)methyl]benzimidazole
SMILESC=CCn1c(Cn2c(-c3cnccn3)nc3ccccc32)nc2ccccc21
InChIInChI=1S/C22H18N6/c1-2-13-27-19-9-5-3-7-16(19)25-21(27)15-28-20-10-6-4-8-17(20)26-22(28)18-14-23-11-12-24-18/h2-12,14H,1,13,15H2
InChIKeyNFMWKHNWIYKQRD-UHFFFAOYSA-N
XLogP4.08
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-2-[(2-pyrazin-2-ylbenzimidazol-1-yl)methyl]benzimidazole?
The IUPAC name of 1-prop-2-enyl-2-[(2-pyrazin-2-ylbenzimidazol-1-yl)methyl]benzimidazole (CID 53300340) is 1-prop-2-enyl-2-[(2-pyrazin-2-ylbenzimidazol-1-yl)methyl]benzimidazole.
What is the SMILES notation for 1-prop-2-enyl-2-[(2-pyrazin-2-ylbenzimidazol-1-yl)methyl]benzimidazole?
The canonical SMILES for 1-prop-2-enyl-2-[(2-pyrazin-2-ylbenzimidazol-1-yl)methyl]benzimidazole is C=CCn1c(Cn2c(-c3cnccn3)nc3ccccc32)nc2ccccc21.
What is the InChIKey of 1-prop-2-enyl-2-[(2-pyrazin-2-ylbenzimidazol-1-yl)methyl]benzimidazole?
The InChIKey is NFMWKHNWIYKQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6/c1-2-13-27-19-9-5-3-7-16(19)25-21(27)15-28-20-10-6-4-8-17(20)26-22(28)18-14-23-11-12-24-18/h2-12,14H,1,13,15H2.
What are the key properties of 1-prop-2-enyl-2-[(2-pyrazin-2-ylbenzimidazol-1-yl)methyl]benzimidazole?
1-prop-2-enyl-2-[(2-pyrazin-2-ylbenzimidazol-1-yl)methyl]benzimidazole has a molecular weight of 366.43 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-2-[(2-pyrazin-2-ylbenzimidazol-1-yl)methyl]benzimidazole is sourced from PubChem (CID 53300340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).