4-fluoro-1H-benzimidazole-2-carbonitrile

C8H4FN3 — CID 83433358

IUPAC4-fluoro-1H-benzimidazole-2-carbonitrile
SMILESN#Cc1nc2c(F)cccc2[nH]1
InChIInChI=1S/C8H4FN3/c9-5-2-1-3-6-8(5)12-7(4-10)11-6/h1-3H,(H,11,12)
InChIKeyBTSHYCGFKLFXMQ-UHFFFAOYSA-N
MW161.14 g/mol
LogP1.57
Rot. Bonds

About 4-fluoro-1H-benzimidazole-2-carbonitrile

4-fluoro-1H-benzimidazole-2-carbonitrile (PubChem CID 83433358) has the molecular formula C8H4FN3 and a molecular weight of 161.14 g/mol. Its IUPAC name is 4-fluoro-1H-benzimidazole-2-carbonitrile.

Molecular Properties

Compound Name4-fluoro-1H-benzimidazole-2-carbonitrile
PubChem CID83433358
Molecular FormulaC8H4FN3
Molecular Weight161.14 g/mol
Exact Mass161.04
IUPAC Name4-fluoro-1H-benzimidazole-2-carbonitrile
SMILESN#Cc1nc2c(F)cccc2[nH]1
InChIInChI=1S/C8H4FN3/c9-5-2-1-3-6-8(5)12-7(4-10)11-6/h1-3H,(H,11,12)
InChIKeyBTSHYCGFKLFXMQ-UHFFFAOYSA-N
XLogP1.57
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.14
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methylsulfanyl-1H-benzimidazole-2-carbonitrile
CID 130850915
4-methoxy-1H-benzimidazole-2-carbonitrile
CID 119084277
1H-benzimidazole-2-carbonitrile
CID 843858
CID 161271779
CID 161271779
4-fluoro-2-(4-methylphenyl)-1H-benzimidazole
CID 60979204
4-fluoro-1H-benzimidazole-2-carboxylic acid
CID 2723751
2-(2,3-difluorophenyl)-4-fluoro-1H-benzimidazole
CID 64723548
2-(4-fluoro-1H-benzimidazol-2-yl)propan-2-amine
CID 61266911
2-(4-fluoro-1H-benzimidazol-2-yl)propan-2-ol
CID 64724359
1H-benzo[f]benzimidazole-2-carbonitrile
CID 45078096
8-fluoro-2-methylquinoline-4-carbonitrile
CID 82448796
4-fluoro-2-(1,1,2,2-tetrafluoroethyl)-1H-benzimidazole
CID 79660905

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1H-benzimidazole-2-carbonitrile?
The IUPAC name of 4-fluoro-1H-benzimidazole-2-carbonitrile (CID 83433358) is 4-fluoro-1H-benzimidazole-2-carbonitrile.
What is the SMILES notation for 4-fluoro-1H-benzimidazole-2-carbonitrile?
The canonical SMILES for 4-fluoro-1H-benzimidazole-2-carbonitrile is N#Cc1nc2c(F)cccc2[nH]1.
What is the InChIKey of 4-fluoro-1H-benzimidazole-2-carbonitrile?
The InChIKey is BTSHYCGFKLFXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4FN3/c9-5-2-1-3-6-8(5)12-7(4-10)11-6/h1-3H,(H,11,12).
What are the key properties of 4-fluoro-1H-benzimidazole-2-carbonitrile?
4-fluoro-1H-benzimidazole-2-carbonitrile has a molecular weight of 161.14 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1H-benzimidazole-2-carbonitrile is sourced from PubChem (CID 83433358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).