6-(2-fluoroethyl)-1H-benzimidazole

C9H9FN2 — CID 139795437

IUPAC6-(2-fluoroethyl)-1H-benzimidazole
SMILESFCCc1ccc2nc[nH]c2c1
InChIInChI=1S/C9H9FN2/c10-4-3-7-1-2-8-9(5-7)12-6-11-8/h1-2,5-6H,3-4H2,(H,11,12)
InChIKeyPZKAJZLCUNLTQA-UHFFFAOYSA-N
MW164.18 g/mol
LogP2.07
Rot. Bonds2

About 6-(2-fluoroethyl)-1H-benzimidazole

6-(2-fluoroethyl)-1H-benzimidazole (PubChem CID 139795437) has the molecular formula C9H9FN2 and a molecular weight of 164.18 g/mol. Its IUPAC name is 6-(2-fluoroethyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-(2-fluoroethyl)-1H-benzimidazole
PubChem CID139795437
Molecular FormulaC9H9FN2
Molecular Weight164.18 g/mol
Exact Mass164.07
IUPAC Name6-(2-fluoroethyl)-1H-benzimidazole
SMILESFCCc1ccc2nc[nH]c2c1
InChIInChI=1S/C9H9FN2/c10-4-3-7-1-2-8-9(5-7)12-6-11-8/h1-2,5-6H,3-4H2,(H,11,12)
InChIKeyPZKAJZLCUNLTQA-UHFFFAOYSA-N
XLogP2.07
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

10-(3H-benzimidazol-5-yl)decan-1-amine
CID 150986948
6-pentyl-1H-benzimidazole
CID 58767911
3-(3H-benzimidazol-5-yl)propanoic acid;hydrochloride
CID 132889297
6-(3-methylbutyl)-1H-benzimidazole
CID 58439474
4-(3H-benzimidazol-5-yl)butan-2-one
CID 82405049
6-(2,2-dimethylpropyl)-1H-benzimidazole
CID 58236536
2-N-[2-(3H-benzimidazol-5-yl)ethyl]-2-methylpropane-1,2-diamine
CID 115132184
5-(3H-benzimidazol-5-yl)pentan-2-amine
CID 116925069
2-(3H-benzimidazol-5-yl)acetic acid;hydrochloride
CID 3046610
2-[2-(3H-benzimidazol-5-yl)ethyl-methylamino]ethanethiol
CID 115224401
[4-[(3H-benzimidazol-5-ylmethylamino)methyl]phenyl]methanamine
CID 115213218
3-N-[2-(3H-benzimidazol-5-yl)ethyl]-3-N-methylpropane-1,2,3-triamine
CID 115120132

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoroethyl)-1H-benzimidazole?
The IUPAC name of 6-(2-fluoroethyl)-1H-benzimidazole (CID 139795437) is 6-(2-fluoroethyl)-1H-benzimidazole.
What is the SMILES notation for 6-(2-fluoroethyl)-1H-benzimidazole?
The canonical SMILES for 6-(2-fluoroethyl)-1H-benzimidazole is FCCc1ccc2nc[nH]c2c1.
What is the InChIKey of 6-(2-fluoroethyl)-1H-benzimidazole?
The InChIKey is PZKAJZLCUNLTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2/c10-4-3-7-1-2-8-9(5-7)12-6-11-8/h1-2,5-6H,3-4H2,(H,11,12).
What are the key properties of 6-(2-fluoroethyl)-1H-benzimidazole?
6-(2-fluoroethyl)-1H-benzimidazole has a molecular weight of 164.18 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoroethyl)-1H-benzimidazole is sourced from PubChem (CID 139795437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).