1-(4,4-difluorocyclohexyl)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone

C21H22F2N2O — CID 130330836

IUPAC1-(4,4-difluorocyclohexyl)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone
SMILESCC1=C(c2ccccc2)C(CC(=O)C2CCC(F)(F)CC2)n2cncc21
InChIInChI=1S/C21H22F2N2O/c1-14-18-12-24-13-25(18)17(20(14)16-5-3-2-4-6-16)11-19(26)15-7-9-21(22,23)10-8-15/h2-6,12-13,15,17H,7-11H2,1H3
InChIKeyCJYYLCWTBIHWHE-UHFFFAOYSA-N
MW356.42 g/mol
LogP5.15
Rot. Bonds4

About 1-(4,4-difluorocyclohexyl)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone

1-(4,4-difluorocyclohexyl)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone (PubChem CID 130330836) has the molecular formula C21H22F2N2O and a molecular weight of 356.42 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone
PubChem CID130330836
Molecular FormulaC21H22F2N2O
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name1-(4,4-difluorocyclohexyl)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone
SMILESCC1=C(c2ccccc2)C(CC(=O)C2CCC(F)(F)CC2)n2cncc21
InChIInChI=1S/C21H22F2N2O/c1-14-18-12-24-13-25(18)17(20(14)16-5-3-2-4-6-16)11-19(26)15-7-9-21(22,23)10-8-15/h2-6,12-13,15,17H,7-11H2,1H3
InChIKeyCJYYLCWTBIHWHE-UHFFFAOYSA-N
XLogP5.15
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.42
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4,4-difluorocyclohexyl)-2-(7-methyl-6-phenyl-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-(4,4-difluorocyclohexyl)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone (CID 130330836) is 1-(4,4-difluorocyclohexyl)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone is CC1=C(c2ccccc2)C(CC(=O)C2CCC(F)(F)CC2)n2cncc21.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone?
The InChIKey is CJYYLCWTBIHWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2O/c1-14-18-12-24-13-25(18)17(20(14)16-5-3-2-4-6-16)11-19(26)15-7-9-21(22,23)10-8-15/h2-6,12-13,15,17H,7-11H2,1H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone?
1-(4,4-difluorocyclohexyl)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone has a molecular weight of 356.42 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone is sourced from PubChem (CID 130330836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).