2-[4-fluoro-4-[2-[6-[(E)-1-fluoroprop-1-enyl]-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethyl]cyclohexyl]acetamide

C20H27F2N3O — CID 142610977

IUPAC2-[4-fluoro-4-[2-[6-[(E)-1-fluoroprop-1-enyl]-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethyl]cyclohexyl]acetamide
SMILESC/C=C(/F)C1=C(C)c2cncn2C1CCC1(F)CCC(CC(N)=O)CC1
InChIInChI=1S/C20H27F2N3O/c1-3-15(21)19-13(2)17-11-24-12-25(17)16(19)6-9-20(22)7-4-14(5-8-20)10-18(23)26/h3,11-12,14,16H,4-10H2,1-2H3,(H2,23,26)/b15-3+
InChIKeyKEAHNVIEGJVBTC-CRKCGEKBSA-N
MW363.45 g/mol
LogP4.64
Rot. Bonds6

About 2-[4-fluoro-4-[2-[6-[(E)-1-fluoroprop-1-enyl]-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethyl]cyclohexyl]acetamide

2-[4-fluoro-4-[2-[6-[(E)-1-fluoroprop-1-enyl]-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethyl]cyclohexyl]acetamide (PubChem CID 142610977) has the molecular formula C20H27F2N3O and a molecular weight of 363.45 g/mol. Its IUPAC name is 2-[4-fluoro-4-[2-[6-[(E)-1-fluoroprop-1-enyl]-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethyl]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-[4-fluoro-4-[2-[6-[(E)-1-fluoroprop-1-enyl]-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethyl]cyclohexyl]acetamide
PubChem CID142610977
Molecular FormulaC20H27F2N3O
Molecular Weight363.45 g/mol
Exact Mass363.21
IUPAC Name2-[4-fluoro-4-[2-[6-[(E)-1-fluoroprop-1-enyl]-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethyl]cyclohexyl]acetamide
SMILESC/C=C(/F)C1=C(C)c2cncn2C1CCC1(F)CCC(CC(N)=O)CC1
InChIInChI=1S/C20H27F2N3O/c1-3-15(21)19-13(2)17-11-24-12-25(17)16(19)6-9-20(22)7-4-14(5-8-20)10-18(23)26/h3,11-12,14,16H,4-10H2,1-2H3,(H2,23,26)/b15-3+
InChIKeyKEAHNVIEGJVBTC-CRKCGEKBSA-N
XLogP4.64
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-fluoro-4-[2-[6-[(E)-1-fluoroprop-1-enyl]-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethyl]cyclohexyl]acetamide 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 2-[4-fluoro-4-[2-[6-[(E)-1-fluoroprop-1-enyl]-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethyl]cyclohexyl]acetamide?
The IUPAC name of 2-[4-fluoro-4-[2-[6-[(E)-1-fluoroprop-1-enyl]-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethyl]cyclohexyl]acetamide (CID 142610977) is 2-[4-fluoro-4-[2-[6-[(E)-1-fluoroprop-1-enyl]-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethyl]cyclohexyl]acetamide.
What is the SMILES notation for 2-[4-fluoro-4-[2-[6-[(E)-1-fluoroprop-1-enyl]-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethyl]cyclohexyl]acetamide?
The canonical SMILES for 2-[4-fluoro-4-[2-[6-[(E)-1-fluoroprop-1-enyl]-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethyl]cyclohexyl]acetamide is C/C=C(/F)C1=C(C)c2cncn2C1CCC1(F)CCC(CC(N)=O)CC1.
What is the InChIKey of 2-[4-fluoro-4-[2-[6-[(E)-1-fluoroprop-1-enyl]-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethyl]cyclohexyl]acetamide?
The InChIKey is KEAHNVIEGJVBTC-CRKCGEKBSA-N. The full InChI is InChI=1S/C20H27F2N3O/c1-3-15(21)19-13(2)17-11-24-12-25(17)16(19)6-9-20(22)7-4-14(5-8-20)10-18(23)26/h3,11-12,14,16H,4-10H2,1-2H3,(H2,23,26)/b15-3+.
What are the key properties of 2-[4-fluoro-4-[2-[6-[(E)-1-fluoroprop-1-enyl]-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethyl]cyclohexyl]acetamide?
2-[4-fluoro-4-[2-[6-[(E)-1-fluoroprop-1-enyl]-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethyl]cyclohexyl]acetamide has a molecular weight of 363.45 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-4-[2-[6-[(E)-1-fluoroprop-1-enyl]-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethyl]cyclohexyl]acetamide is sourced from PubChem (CID 142610977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).