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

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Related Compounds

CID 123168407
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CID 130455674
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CID 132218385
CID 132218385
CID 139334369
CID 139334369
CID 139334402
CID 139334402
CID 142284538
CID 142284538
CID 142584699
CID 142584699
CID 142610963
CID 142610963
CID 142610968
CID 142610968
CID 142610970
CID 142610970

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).