1-cyclohexyl-2-[6-(2-fluorophenyl)-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethanone

C21H23FN2O — CID 130330865

IUPAC1-cyclohexyl-2-[6-(2-fluorophenyl)-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethanone
SMILESCC1=C(c2ccccc2F)C(CC(=O)C2CCCCC2)n2cncc21
InChIInChI=1S/C21H23FN2O/c1-14-19-12-23-13-24(19)18(11-20(25)15-7-3-2-4-8-15)21(14)16-9-5-6-10-17(16)22/h5-6,9-10,12-13,15,18H,2-4,7-8,11H2,1H3
InChIKeyODQFBFSLGAVCJY-UHFFFAOYSA-N
MW338.43 g/mol
LogP5.05
Rot. Bonds4

About 1-cyclohexyl-2-[6-(2-fluorophenyl)-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethanone

1-cyclohexyl-2-[6-(2-fluorophenyl)-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethanone (PubChem CID 130330865) has the molecular formula C21H23FN2O and a molecular weight of 338.43 g/mol. Its IUPAC name is 1-cyclohexyl-2-[6-(2-fluorophenyl)-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-[6-(2-fluorophenyl)-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethanone
PubChem CID130330865
Molecular FormulaC21H23FN2O
Molecular Weight338.43 g/mol
Exact Mass338.18
IUPAC Name1-cyclohexyl-2-[6-(2-fluorophenyl)-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethanone
SMILESCC1=C(c2ccccc2F)C(CC(=O)C2CCCCC2)n2cncc21
InChIInChI=1S/C21H23FN2O/c1-14-19-12-23-13-24(19)18(11-20(25)15-7-3-2-4-8-15)21(14)16-9-5-6-10-17(16)22/h5-6,9-10,12-13,15,18H,2-4,7-8,11H2,1H3
InChIKeyODQFBFSLGAVCJY-UHFFFAOYSA-N
XLogP5.05
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.43
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-cyclohexyl-2-[6-(2-fluorophenyl)-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethanone 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-cyclohexyl-2-[6-(2-fluorophenyl)-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethanone?
The IUPAC name of 1-cyclohexyl-2-[6-(2-fluorophenyl)-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethanone (CID 130330865) is 1-cyclohexyl-2-[6-(2-fluorophenyl)-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethanone.
What is the SMILES notation for 1-cyclohexyl-2-[6-(2-fluorophenyl)-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethanone?
The canonical SMILES for 1-cyclohexyl-2-[6-(2-fluorophenyl)-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethanone is CC1=C(c2ccccc2F)C(CC(=O)C2CCCCC2)n2cncc21.
What is the InChIKey of 1-cyclohexyl-2-[6-(2-fluorophenyl)-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethanone?
The InChIKey is ODQFBFSLGAVCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O/c1-14-19-12-23-13-24(19)18(11-20(25)15-7-3-2-4-8-15)21(14)16-9-5-6-10-17(16)22/h5-6,9-10,12-13,15,18H,2-4,7-8,11H2,1H3.
What are the key properties of 1-cyclohexyl-2-[6-(2-fluorophenyl)-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethanone?
1-cyclohexyl-2-[6-(2-fluorophenyl)-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethanone has a molecular weight of 338.43 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[6-(2-fluorophenyl)-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethanone is sourced from PubChem (CID 130330865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).