1H-benzo[f]benzimidazole-2-carbonitrile

C12H7N3 — CID 45078096

IUPAC1H-benzo[f]benzimidazole-2-carbonitrile
SMILESN#Cc1nc2cc3ccccc3cc2[nH]1
InChIInChI=1S/C12H7N3/c13-7-12-14-10-5-8-3-1-2-4-9(8)6-11(10)15-12/h1-6H,(H,14,15)
InChIKeyUSQZDBQDACGOBP-UHFFFAOYSA-N
MW193.21 g/mol
LogP2.59
Rot. Bonds

About 1H-benzo[f]benzimidazole-2-carbonitrile

1H-benzo[f]benzimidazole-2-carbonitrile (PubChem CID 45078096) has the molecular formula C12H7N3 and a molecular weight of 193.21 g/mol. Its IUPAC name is 1H-benzo[f]benzimidazole-2-carbonitrile.

Molecular Properties

Compound Name1H-benzo[f]benzimidazole-2-carbonitrile
PubChem CID45078096
Molecular FormulaC12H7N3
Molecular Weight193.21 g/mol
Exact Mass193.06
IUPAC Name1H-benzo[f]benzimidazole-2-carbonitrile
SMILESN#Cc1nc2cc3ccccc3cc2[nH]1
InChIInChI=1S/C12H7N3/c13-7-12-14-10-5-8-3-1-2-4-9(8)6-11(10)15-12/h1-6H,(H,14,15)
InChIKeyUSQZDBQDACGOBP-UHFFFAOYSA-N
XLogP2.59
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1H-benzimidazole-2-carbonitrile
CID 843858
CID 161271779
CID 161271779
2-phenyl-1H-benzo[f]benzimidazole
CID 13074514
1H-benzo[f]benzimidazol-2-ylmethylazanium
CID 7013316
4-fluoro-1H-benzimidazole-2-carbonitrile
CID 83433358
4,15,21,32-tetrazaoctacyclo[16.16.0.03,16.05,14.07,12.020,33.022,31.024,29]tetratriaconta-1,3(16),5,7,9,11,13,17,19,22,24,26,28,30,33-pentadecaene
CID 132514224
2-pyridin-3-yl-1H-benzo[f]benzimidazole
CID 3152015
4-methoxy-1H-benzimidazole-2-carbonitrile
CID 119084277
4-methylsulfanyl-1H-benzimidazole-2-carbonitrile
CID 130850915
2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-benzo[f]benzimidazole
CID 138756618
4-(1H-imidazo[4,5-g]quinolin-2-yl)benzonitrile
CID 127044220
naphthalene-2,3-dicarbonitrile
CID 601270

Frequently Asked Questions

What is the IUPAC name of 1H-benzo[f]benzimidazole-2-carbonitrile?
The IUPAC name of 1H-benzo[f]benzimidazole-2-carbonitrile (CID 45078096) is 1H-benzo[f]benzimidazole-2-carbonitrile.
What is the SMILES notation for 1H-benzo[f]benzimidazole-2-carbonitrile?
The canonical SMILES for 1H-benzo[f]benzimidazole-2-carbonitrile is N#Cc1nc2cc3ccccc3cc2[nH]1.
What is the InChIKey of 1H-benzo[f]benzimidazole-2-carbonitrile?
The InChIKey is USQZDBQDACGOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N3/c13-7-12-14-10-5-8-3-1-2-4-9(8)6-11(10)15-12/h1-6H,(H,14,15).
What are the key properties of 1H-benzo[f]benzimidazole-2-carbonitrile?
1H-benzo[f]benzimidazole-2-carbonitrile has a molecular weight of 193.21 g/mol, XLogP of 2.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzo[f]benzimidazole-2-carbonitrile is sourced from PubChem (CID 45078096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).