3-methyl-2-pyridin-2-ylbenzo[e]benzimidazole;hydrochloride

C17H14ClN3 — CID 14011825

IUPAC3-methyl-2-pyridin-2-ylbenzo[e]benzimidazole;hydrochloride
SMILESCl.Cn1c(-c2ccccn2)nc2c3ccccc3ccc21
InChIInChI=1S/C17H13N3.ClH/c1-20-15-10-9-12-6-2-3-7-13(12)16(15)19-17(20)14-8-4-5-11-18-14;/h2-11H,1H3;1H
InChIKeyLFOGHIJAJVUGGG-UHFFFAOYSA-N
MW295.77 g/mol
LogP4.21
Rot. Bonds1

About 3-methyl-2-pyridin-2-ylbenzo[e]benzimidazole;hydrochloride

3-methyl-2-pyridin-2-ylbenzo[e]benzimidazole;hydrochloride (PubChem CID 14011825) has the molecular formula C17H14ClN3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 3-methyl-2-pyridin-2-ylbenzo[e]benzimidazole;hydrochloride.

Molecular Properties

Compound Name3-methyl-2-pyridin-2-ylbenzo[e]benzimidazole;hydrochloride
PubChem CID14011825
Molecular FormulaC17H14ClN3
Molecular Weight295.77 g/mol
Exact Mass295.09
IUPAC Name3-methyl-2-pyridin-2-ylbenzo[e]benzimidazole;hydrochloride
SMILESCl.Cn1c(-c2ccccn2)nc2c3ccccc3ccc21
InChIInChI=1S/C17H13N3.ClH/c1-20-15-10-9-12-6-2-3-7-13(12)16(15)19-17(20)14-8-4-5-11-18-14;/h2-11H,1H3;1H
InChIKeyLFOGHIJAJVUGGG-UHFFFAOYSA-N
XLogP4.21
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-pyridin-2-ylbenzo[e]benzimidazole;hydrochloride?
The IUPAC name of 3-methyl-2-pyridin-2-ylbenzo[e]benzimidazole;hydrochloride (CID 14011825) is 3-methyl-2-pyridin-2-ylbenzo[e]benzimidazole;hydrochloride.
What is the SMILES notation for 3-methyl-2-pyridin-2-ylbenzo[e]benzimidazole;hydrochloride?
The canonical SMILES for 3-methyl-2-pyridin-2-ylbenzo[e]benzimidazole;hydrochloride is Cl.Cn1c(-c2ccccn2)nc2c3ccccc3ccc21.
What is the InChIKey of 3-methyl-2-pyridin-2-ylbenzo[e]benzimidazole;hydrochloride?
The InChIKey is LFOGHIJAJVUGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3.ClH/c1-20-15-10-9-12-6-2-3-7-13(12)16(15)19-17(20)14-8-4-5-11-18-14;/h2-11H,1H3;1H.
What are the key properties of 3-methyl-2-pyridin-2-ylbenzo[e]benzimidazole;hydrochloride?
3-methyl-2-pyridin-2-ylbenzo[e]benzimidazole;hydrochloride has a molecular weight of 295.77 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-pyridin-2-ylbenzo[e]benzimidazole;hydrochloride is sourced from PubChem (CID 14011825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).