6-fluoro-2-[2-(furan-2-yl)ethyl]-1H-benzimidazole-4-carboxylic acid

C14H11FN2O3 — CID 103436025

IUPAC6-fluoro-2-[2-(furan-2-yl)ethyl]-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cc(F)cc2[nH]c(CCc3ccco3)nc12
InChIInChI=1S/C14H11FN2O3/c15-8-6-10(14(18)19)13-11(7-8)16-12(17-13)4-3-9-2-1-5-20-9/h1-2,5-7H,3-4H2,(H,16,17)(H,18,19)
InChIKeyXPOMYVWMROEYPM-UHFFFAOYSA-N
MW274.25 g/mol
LogP2.78
Rot. Bonds4

About 6-fluoro-2-[2-(furan-2-yl)ethyl]-1H-benzimidazole-4-carboxylic acid

6-fluoro-2-[2-(furan-2-yl)ethyl]-1H-benzimidazole-4-carboxylic acid (PubChem CID 103436025) has the molecular formula C14H11FN2O3 and a molecular weight of 274.25 g/mol. Its IUPAC name is 6-fluoro-2-[2-(furan-2-yl)ethyl]-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-2-[2-(furan-2-yl)ethyl]-1H-benzimidazole-4-carboxylic acid
PubChem CID103436025
Molecular FormulaC14H11FN2O3
Molecular Weight274.25 g/mol
Exact Mass274.08
IUPAC Name6-fluoro-2-[2-(furan-2-yl)ethyl]-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cc(F)cc2[nH]c(CCc3ccco3)nc12
InChIInChI=1S/C14H11FN2O3/c15-8-6-10(14(18)19)13-11(7-8)16-12(17-13)4-3-9-2-1-5-20-9/h1-2,5-7H,3-4H2,(H,16,17)(H,18,19)
InChIKeyXPOMYVWMROEYPM-UHFFFAOYSA-N
XLogP2.78
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-2-[(4-fluorophenyl)methyl]-1H-benzimidazole-4-carboxylic acid
CID 103435877
2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 112582740
6-fluoro-2-(oxan-2-ylmethyl)-1H-benzimidazole-4-carboxylic acid
CID 103436201
2-(5-ethylfuran-2-yl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103436113
1-(3,5-difluorophenyl)-3-(furan-2-yl)propan-1-one
CID 105095139
2-[2-(furan-2-yl)ethyl]-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821939
5,6-dichloro-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine
CID 113360932
1-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)propan-1-one
CID 105396704
2-[(4-fluorophenyl)methyl]-1H-benzimidazole-4-carboxylic acid
CID 63032815
6-fluoro-2-(3-methyloxolan-2-yl)-1H-benzimidazole-4-carboxylic acid
CID 103436206
6-fluoro-2-(1-methylpyrazol-3-yl)-1H-benzimidazole-4-carboxylic acid
CID 136948243
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(furan-2-yl)propanamide
CID 29303584

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[2-(furan-2-yl)ethyl]-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 6-fluoro-2-[2-(furan-2-yl)ethyl]-1H-benzimidazole-4-carboxylic acid (CID 103436025) is 6-fluoro-2-[2-(furan-2-yl)ethyl]-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 6-fluoro-2-[2-(furan-2-yl)ethyl]-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 6-fluoro-2-[2-(furan-2-yl)ethyl]-1H-benzimidazole-4-carboxylic acid is O=C(O)c1cc(F)cc2[nH]c(CCc3ccco3)nc12.
What is the InChIKey of 6-fluoro-2-[2-(furan-2-yl)ethyl]-1H-benzimidazole-4-carboxylic acid?
The InChIKey is XPOMYVWMROEYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3/c15-8-6-10(14(18)19)13-11(7-8)16-12(17-13)4-3-9-2-1-5-20-9/h1-2,5-7H,3-4H2,(H,16,17)(H,18,19).
What are the key properties of 6-fluoro-2-[2-(furan-2-yl)ethyl]-1H-benzimidazole-4-carboxylic acid?
6-fluoro-2-[2-(furan-2-yl)ethyl]-1H-benzimidazole-4-carboxylic acid has a molecular weight of 274.25 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[2-(furan-2-yl)ethyl]-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 103436025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).