4-fluoro-2-(2-pyridin-2-ylethyl)-1H-benzimidazole

C14H12FN3 — CID 114289881

IUPAC4-fluoro-2-(2-pyridin-2-ylethyl)-1H-benzimidazole
SMILESFc1cccc2[nH]c(CCc3ccccn3)nc12
InChIInChI=1S/C14H12FN3/c15-11-5-3-6-12-14(11)18-13(17-12)8-7-10-4-1-2-9-16-10/h1-6,9H,7-8H2,(H,17,18)
InChIKeyXHARJZGVWFETRD-UHFFFAOYSA-N
MW241.27 g/mol
LogP2.88
Rot. Bonds3

About 4-fluoro-2-(2-pyridin-2-ylethyl)-1H-benzimidazole

4-fluoro-2-(2-pyridin-2-ylethyl)-1H-benzimidazole (PubChem CID 114289881) has the molecular formula C14H12FN3 and a molecular weight of 241.27 g/mol. Its IUPAC name is 4-fluoro-2-(2-pyridin-2-ylethyl)-1H-benzimidazole.

Molecular Properties

Compound Name4-fluoro-2-(2-pyridin-2-ylethyl)-1H-benzimidazole
PubChem CID114289881
Molecular FormulaC14H12FN3
Molecular Weight241.27 g/mol
Exact Mass241.10
IUPAC Name4-fluoro-2-(2-pyridin-2-ylethyl)-1H-benzimidazole
SMILESFc1cccc2[nH]c(CCc3ccccn3)nc12
InChIInChI=1S/C14H12FN3/c15-11-5-3-6-12-14(11)18-13(17-12)8-7-10-4-1-2-9-16-10/h1-6,9H,7-8H2,(H,17,18)
InChIKeyXHARJZGVWFETRD-UHFFFAOYSA-N
XLogP2.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-(4-fluoro-1H-benzimidazol-2-yl)pentyl]-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 157207839
6-bromo-4-methyl-2-(2-pyridin-2-ylethyl)-1H-benzimidazole
CID 104574434
4-fluoro-2-(pyridin-4-ylmethyl)-1H-benzimidazole
CID 60977589
4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]-1H-benzimidazole
CID 112603045
5-(4-fluoro-1H-benzimidazol-2-yl)pentan-2-amine
CID 82847015
N-[2-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-methylaniline
CID 60837376
3-(4-fluoro-1H-benzimidazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 60837837
2-(14-pyridin-2-yltetradecyl)pyridine
CID 10594187
2-[2-(2-fluorophenoxy)ethyl]pyridine
CID 64765449
2,2,2-trifluoro-N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine
CID 79257733
2-(chloromethyl)-4-fluoro-1-(2-pyridin-2-ylethyl)benzimidazole
CID 60789969
4-fluoro-2-(thian-4-ylmethyl)-1H-benzimidazole
CID 83135923

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(2-pyridin-2-ylethyl)-1H-benzimidazole?
The IUPAC name of 4-fluoro-2-(2-pyridin-2-ylethyl)-1H-benzimidazole (CID 114289881) is 4-fluoro-2-(2-pyridin-2-ylethyl)-1H-benzimidazole.
What is the SMILES notation for 4-fluoro-2-(2-pyridin-2-ylethyl)-1H-benzimidazole?
The canonical SMILES for 4-fluoro-2-(2-pyridin-2-ylethyl)-1H-benzimidazole is Fc1cccc2[nH]c(CCc3ccccn3)nc12.
What is the InChIKey of 4-fluoro-2-(2-pyridin-2-ylethyl)-1H-benzimidazole?
The InChIKey is XHARJZGVWFETRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3/c15-11-5-3-6-12-14(11)18-13(17-12)8-7-10-4-1-2-9-16-10/h1-6,9H,7-8H2,(H,17,18).
What are the key properties of 4-fluoro-2-(2-pyridin-2-ylethyl)-1H-benzimidazole?
4-fluoro-2-(2-pyridin-2-ylethyl)-1H-benzimidazole has a molecular weight of 241.27 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(2-pyridin-2-ylethyl)-1H-benzimidazole is sourced from PubChem (CID 114289881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).