1-ethyl-4-fluorobenzimidazole-2-carboxylic acid

C10H9FN2O2 — CID 124927269

IUPAC1-ethyl-4-fluorobenzimidazole-2-carboxylic acid
SMILESCCn1c(C(=O)O)nc2c(F)cccc21
InChIInChI=1S/C10H9FN2O2/c1-2-13-7-5-3-4-6(11)8(7)12-9(13)10(14)15/h3-5H,2H2,1H3,(H,14,15)
InChIKeyPDVBBXVIFLXQOS-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.89
Rot. Bonds2

About 1-ethyl-4-fluorobenzimidazole-2-carboxylic acid

1-ethyl-4-fluorobenzimidazole-2-carboxylic acid (PubChem CID 124927269) has the molecular formula C10H9FN2O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is 1-ethyl-4-fluorobenzimidazole-2-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-4-fluorobenzimidazole-2-carboxylic acid
PubChem CID124927269
Molecular FormulaC10H9FN2O2
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Name1-ethyl-4-fluorobenzimidazole-2-carboxylic acid
SMILESCCn1c(C(=O)O)nc2c(F)cccc21
InChIInChI=1S/C10H9FN2O2/c1-2-13-7-5-3-4-6(11)8(7)12-9(13)10(14)15/h3-5H,2H2,1H3,(H,14,15)
InChIKeyPDVBBXVIFLXQOS-UHFFFAOYSA-N
XLogP1.89
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethyl-4-fluorobenzimidazol-2-yl)-3-fluorophenol
CID 136789662
6-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclohex-3-ene-1-carboxylic acid
CID 60783351
ethyl 4-fluoro-1-methylbenzimidazole-2-carboxylate
CID 63357720
methyl 1-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate
CID 79733660
ethyl 1-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate
CID 79471310
1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]-5-methylpiperidine-3-carboxylic acid
CID 122121128
5-chloro-1-ethylbenzimidazole-2-carboxylic acid
CID 130659632
methyl 2-(2-amino-4-fluorobenzimidazol-1-yl)acetate
CID 60789228
2-amino-5-(1-ethyl-4-fluorobenzimidazol-2-yl)phenol
CID 60835711
2-[4-fluoro-1-(3-methylbut-2-enyl)benzimidazol-2-yl]sulfanylacetic acid
CID 106188586
ethyl 2-(4-fluoro-1-propylbenzimidazol-2-yl)propanoate
CID 79475283
1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]cyclobutan-1-amine
CID 79846796

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-fluorobenzimidazole-2-carboxylic acid?
The IUPAC name of 1-ethyl-4-fluorobenzimidazole-2-carboxylic acid (CID 124927269) is 1-ethyl-4-fluorobenzimidazole-2-carboxylic acid.
What is the SMILES notation for 1-ethyl-4-fluorobenzimidazole-2-carboxylic acid?
The canonical SMILES for 1-ethyl-4-fluorobenzimidazole-2-carboxylic acid is CCn1c(C(=O)O)nc2c(F)cccc21.
What is the InChIKey of 1-ethyl-4-fluorobenzimidazole-2-carboxylic acid?
The InChIKey is PDVBBXVIFLXQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2/c1-2-13-7-5-3-4-6(11)8(7)12-9(13)10(14)15/h3-5H,2H2,1H3,(H,14,15).
What are the key properties of 1-ethyl-4-fluorobenzimidazole-2-carboxylic acid?
1-ethyl-4-fluorobenzimidazole-2-carboxylic acid has a molecular weight of 208.19 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-fluorobenzimidazole-2-carboxylic acid is sourced from PubChem (CID 124927269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).