2-pyridin-2-yl-1H-benzo[f]benzimidazole

C16H11N3 — CID 1084688

IUPAC2-pyridin-2-yl-1H-benzo[f]benzimidazole
SMILESc1ccc(-c2nc3cc4ccccc4cc3[nH]2)nc1
InChIInChI=1S/C16H11N3/c1-2-6-12-10-15-14(9-11(12)5-1)18-16(19-15)13-7-3-4-8-17-13/h1-10H,(H,18,19)
InChIKeyGJADDFHYLPUPBD-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.78
Rot. Bonds1

About 2-pyridin-2-yl-1H-benzo[f]benzimidazole

2-pyridin-2-yl-1H-benzo[f]benzimidazole (PubChem CID 1084688) has the molecular formula C16H11N3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-pyridin-2-yl-1H-benzo[f]benzimidazole.

Molecular Properties

Compound Name2-pyridin-2-yl-1H-benzo[f]benzimidazole
PubChem CID1084688
Molecular FormulaC16H11N3
Molecular Weight245.28 g/mol
Exact Mass245.10
IUPAC Name2-pyridin-2-yl-1H-benzo[f]benzimidazole
SMILESc1ccc(-c2nc3cc4ccccc4cc3[nH]2)nc1
InChIInChI=1S/C16H11N3/c1-2-6-12-10-15-14(9-11(12)5-1)18-16(19-15)13-7-3-4-8-17-13/h1-10H,(H,18,19)
InChIKeyGJADDFHYLPUPBD-UHFFFAOYSA-N
XLogP3.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-1H-benzo[f]benzimidazole?
The IUPAC name of 2-pyridin-2-yl-1H-benzo[f]benzimidazole (CID 1084688) is 2-pyridin-2-yl-1H-benzo[f]benzimidazole.
What is the SMILES notation for 2-pyridin-2-yl-1H-benzo[f]benzimidazole?
The canonical SMILES for 2-pyridin-2-yl-1H-benzo[f]benzimidazole is c1ccc(-c2nc3cc4ccccc4cc3[nH]2)nc1.
What is the InChIKey of 2-pyridin-2-yl-1H-benzo[f]benzimidazole?
The InChIKey is GJADDFHYLPUPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3/c1-2-6-12-10-15-14(9-11(12)5-1)18-16(19-15)13-7-3-4-8-17-13/h1-10H,(H,18,19).
What are the key properties of 2-pyridin-2-yl-1H-benzo[f]benzimidazole?
2-pyridin-2-yl-1H-benzo[f]benzimidazole has a molecular weight of 245.28 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-1H-benzo[f]benzimidazole is sourced from PubChem (CID 1084688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).