6-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclohex-3-ene-1-carboxylic acid

C16H17FN2O2 — CID 60783351

IUPAC6-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclohex-3-ene-1-carboxylic acid
SMILESCCn1c(C2CC=CCC2C(=O)O)nc2c(F)cccc21
InChIInChI=1S/C16H17FN2O2/c1-2-19-13-9-5-8-12(17)14(13)18-15(19)10-6-3-4-7-11(10)16(20)21/h3-5,8-11H,2,6-7H2,1H3,(H,20,21)
InChIKeyYEHGMHPSIVIZAE-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.33
Rot. Bonds3

About 6-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclohex-3-ene-1-carboxylic acid

6-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclohex-3-ene-1-carboxylic acid (PubChem CID 60783351) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 6-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name6-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclohex-3-ene-1-carboxylic acid
PubChem CID60783351
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name6-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclohex-3-ene-1-carboxylic acid
SMILESCCn1c(C2CC=CCC2C(=O)O)nc2c(F)cccc21
InChIInChI=1S/C16H17FN2O2/c1-2-19-13-9-5-8-12(17)14(13)18-15(19)10-6-3-4-7-11(10)16(20)21/h3-5,8-11H,2,6-7H2,1H3,(H,20,21)
InChIKeyYEHGMHPSIVIZAE-UHFFFAOYSA-N
XLogP3.33
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclohex-3-ene-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,6R)-6-(1-ethyl-5-fluorobenzimidazol-2-yl)cyclohex-3-ene-1-carboxylic acid
CID 104962914
(1S,6R)-6-(1-ethylimidazo[4,5-c]pyridin-2-yl)cyclohex-3-ene-1-carboxylic acid
CID 104962934
1-ethyl-4-fluorobenzimidazole-2-carboxylic acid
CID 124927269
2-(4-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclopentane-1-carboxylic acid
CID 114391714
trans-(1R,2R)-2-(1-ethylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid
CID 135377773
1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]-5-methylpiperidine-3-carboxylic acid
CID 122121128
1-ethyl-4-fluoro-2-(4-methylpiperidin-2-yl)benzimidazole
CID 114422463
methyl 1-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate
CID 79733660
2-(1-ethyl-4-fluorobenzimidazol-2-yl)-3-fluorophenol
CID 136789662
2-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120976059
ethyl 1-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate
CID 79471310
4-fluoro-2-(2-methylpiperidin-4-yl)-1-propylbenzimidazole
CID 106742794

Frequently Asked Questions

What is the IUPAC name of 6-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 6-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclohex-3-ene-1-carboxylic acid (CID 60783351) is 6-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 6-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 6-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclohex-3-ene-1-carboxylic acid is CCn1c(C2CC=CCC2C(=O)O)nc2c(F)cccc21.
What is the InChIKey of 6-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclohex-3-ene-1-carboxylic acid?
The InChIKey is YEHGMHPSIVIZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-2-19-13-9-5-8-12(17)14(13)18-15(19)10-6-3-4-7-11(10)16(20)21/h3-5,8-11H,2,6-7H2,1H3,(H,20,21).
What are the key properties of 6-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclohex-3-ene-1-carboxylic acid?
6-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclohex-3-ene-1-carboxylic acid has a molecular weight of 288.32 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 60783351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).