1-[5-fluoro-1-(3-methylsulfonylphenyl)benzimidazol-2-yl]ethylcarbamic acid

C17H16FN3O4S — CID 67434371

IUPAC1-[5-fluoro-1-(3-methylsulfonylphenyl)benzimidazol-2-yl]ethylcarbamic acid
SMILESCC(NC(=O)O)c1nc2cc(F)ccc2n1-c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C17H16FN3O4S/c1-10(19-17(22)23)16-20-14-8-11(18)6-7-15(14)21(16)12-4-3-5-13(9-12)26(2,24)25/h3-10,19H,1-2H3,(H,22,23)
InChIKeyUMLCVSOJXMLGLN-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.90
Rot. Bonds4

About 1-[5-fluoro-1-(3-methylsulfonylphenyl)benzimidazol-2-yl]ethylcarbamic acid

1-[5-fluoro-1-(3-methylsulfonylphenyl)benzimidazol-2-yl]ethylcarbamic acid (PubChem CID 67434371) has the molecular formula C17H16FN3O4S and a molecular weight of 377.40 g/mol. Its IUPAC name is 1-[5-fluoro-1-(3-methylsulfonylphenyl)benzimidazol-2-yl]ethylcarbamic acid.

Molecular Properties

Compound Name1-[5-fluoro-1-(3-methylsulfonylphenyl)benzimidazol-2-yl]ethylcarbamic acid
PubChem CID67434371
Molecular FormulaC17H16FN3O4S
Molecular Weight377.40 g/mol
Exact Mass377.08
IUPAC Name1-[5-fluoro-1-(3-methylsulfonylphenyl)benzimidazol-2-yl]ethylcarbamic acid
SMILESCC(NC(=O)O)c1nc2cc(F)ccc2n1-c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C17H16FN3O4S/c1-10(19-17(22)23)16-20-14-8-11(18)6-7-15(14)21(16)12-4-3-5-13(9-12)26(2,24)25/h3-10,19H,1-2H3,(H,22,23)
InChIKeyUMLCVSOJXMLGLN-UHFFFAOYSA-N
XLogP2.90
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[5-fluoro-1-(3-methylsulfonylphenyl)benzimidazol-2-yl]ethylcarbamic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-1-(3-methylsulfonylphenyl)benzimidazol-2-yl]ethylcarbamic acid?
The IUPAC name of 1-[5-fluoro-1-(3-methylsulfonylphenyl)benzimidazol-2-yl]ethylcarbamic acid (CID 67434371) is 1-[5-fluoro-1-(3-methylsulfonylphenyl)benzimidazol-2-yl]ethylcarbamic acid.
What is the SMILES notation for 1-[5-fluoro-1-(3-methylsulfonylphenyl)benzimidazol-2-yl]ethylcarbamic acid?
The canonical SMILES for 1-[5-fluoro-1-(3-methylsulfonylphenyl)benzimidazol-2-yl]ethylcarbamic acid is CC(NC(=O)O)c1nc2cc(F)ccc2n1-c1cccc(S(C)(=O)=O)c1.
What is the InChIKey of 1-[5-fluoro-1-(3-methylsulfonylphenyl)benzimidazol-2-yl]ethylcarbamic acid?
The InChIKey is UMLCVSOJXMLGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O4S/c1-10(19-17(22)23)16-20-14-8-11(18)6-7-15(14)21(16)12-4-3-5-13(9-12)26(2,24)25/h3-10,19H,1-2H3,(H,22,23).
What are the key properties of 1-[5-fluoro-1-(3-methylsulfonylphenyl)benzimidazol-2-yl]ethylcarbamic acid?
1-[5-fluoro-1-(3-methylsulfonylphenyl)benzimidazol-2-yl]ethylcarbamic acid has a molecular weight of 377.40 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-1-(3-methylsulfonylphenyl)benzimidazol-2-yl]ethylcarbamic acid is sourced from PubChem (CID 67434371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).