2-pyridin-3-yl-1H-benzo[f]benzimidazole

C16H11N3 — CID 3152015

IUPAC2-pyridin-3-yl-1H-benzo[f]benzimidazole
SMILESc1cncc(-c2nc3cc4ccccc4cc3[nH]2)c1
InChIInChI=1S/C16H11N3/c1-2-5-12-9-15-14(8-11(12)4-1)18-16(19-15)13-6-3-7-17-10-13/h1-10H,(H,18,19)
InChIKeyCETODOAZVURPNJ-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.78
Rot. Bonds1

About 2-pyridin-3-yl-1H-benzo[f]benzimidazole

2-pyridin-3-yl-1H-benzo[f]benzimidazole (PubChem CID 3152015) has the molecular formula C16H11N3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-pyridin-3-yl-1H-benzo[f]benzimidazole.

Molecular Properties

Compound Name2-pyridin-3-yl-1H-benzo[f]benzimidazole
PubChem CID3152015
Molecular FormulaC16H11N3
Molecular Weight245.28 g/mol
Exact Mass245.10
IUPAC Name2-pyridin-3-yl-1H-benzo[f]benzimidazole
SMILESc1cncc(-c2nc3cc4ccccc4cc3[nH]2)c1
InChIInChI=1S/C16H11N3/c1-2-5-12-9-15-14(8-11(12)4-1)18-16(19-15)13-6-3-7-17-10-13/h1-10H,(H,18,19)
InChIKeyCETODOAZVURPNJ-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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Related Compounds

2-phenyl-1H-benzo[f]benzimidazole
CID 13074514
5,6-difluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole
CID 166873941
2-(2-pyridin-3-yl-3H-benzimidazol-5-yl)ethanamine
CID 82292187
6-prop-2-ynoxy-2-pyridin-3-yl-1H-benzimidazole
CID 84816420
N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 53370749
7-propan-2-ylidene-2-pyridin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one
CID 22162263
2-pyridin-3-yl-1H-indole
CID 606677
7-methyl-6-oxo-2-pyridin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazole-7-carbonitrile
CID 22162187
2-(4-pyridin-3-ylphenyl)-1H-indole
CID 91518635
6-methyl-2-pyridin-3-yl-1H-imidazo[4,5-b]pyridine
CID 79015085
2-chloro-N'-(2-pyridin-3-yl-3H-benzimidazol-5-yl)ethanimidamide
CID 169368117
2-pyridin-3-yl-1H-indole;hydrochloride
CID 159150480

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-1H-benzo[f]benzimidazole?
The IUPAC name of 2-pyridin-3-yl-1H-benzo[f]benzimidazole (CID 3152015) is 2-pyridin-3-yl-1H-benzo[f]benzimidazole.
What is the SMILES notation for 2-pyridin-3-yl-1H-benzo[f]benzimidazole?
The canonical SMILES for 2-pyridin-3-yl-1H-benzo[f]benzimidazole is c1cncc(-c2nc3cc4ccccc4cc3[nH]2)c1.
What is the InChIKey of 2-pyridin-3-yl-1H-benzo[f]benzimidazole?
The InChIKey is CETODOAZVURPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3/c1-2-5-12-9-15-14(8-11(12)4-1)18-16(19-15)13-6-3-7-17-10-13/h1-10H,(H,18,19).
What are the key properties of 2-pyridin-3-yl-1H-benzo[f]benzimidazole?
2-pyridin-3-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-3-yl-1H-benzo[f]benzimidazole is sourced from PubChem (CID 3152015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).