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

C20H28FN3O — CID 142610992

IUPAC2-[4-fluoro-4-[2-[7-methyl-6-[(Z)-prop-1-enyl]-5H-pyrrolo[1,2-c]imidazol-5-yl]ethyl]cyclohexyl]acetamide
SMILESC/C=C\C1=C(C)c2cncn2C1CCC1(F)CCC(CC(N)=O)CC1
InChIInChI=1S/C20H28FN3O/c1-3-4-16-14(2)18-12-23-13-24(18)17(16)7-10-20(21)8-5-15(6-9-20)11-19(22)25/h3-4,12-13,15,17H,5-11H2,1-2H3,(H2,22,25)/b4-3-
InChIKeyYNNUSUNRECDYFT-ARJAWSKDSA-N
MW345.46 g/mol
LogP4.34
Rot. Bonds6

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

2-[4-fluoro-4-[2-[7-methyl-6-[(Z)-prop-1-enyl]-5H-pyrrolo[1,2-c]imidazol-5-yl]ethyl]cyclohexyl]acetamide (PubChem CID 142610992) has the molecular formula C20H28FN3O and a molecular weight of 345.46 g/mol. Its IUPAC name is 2-[4-fluoro-4-[2-[7-methyl-6-[(Z)-prop-1-enyl]-5H-pyrrolo[1,2-c]imidazol-5-yl]ethyl]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-[4-fluoro-4-[2-[7-methyl-6-[(Z)-prop-1-enyl]-5H-pyrrolo[1,2-c]imidazol-5-yl]ethyl]cyclohexyl]acetamide
PubChem CID142610992
Molecular FormulaC20H28FN3O
Molecular Weight345.46 g/mol
Exact Mass345.22
IUPAC Name2-[4-fluoro-4-[2-[7-methyl-6-[(Z)-prop-1-enyl]-5H-pyrrolo[1,2-c]imidazol-5-yl]ethyl]cyclohexyl]acetamide
SMILESC/C=C\C1=C(C)c2cncn2C1CCC1(F)CCC(CC(N)=O)CC1
InChIInChI=1S/C20H28FN3O/c1-3-4-16-14(2)18-12-23-13-24(18)17(16)7-10-20(21)8-5-15(6-9-20)11-19(22)25/h3-4,12-13,15,17H,5-11H2,1-2H3,(H2,22,25)/b4-3-
InChIKeyYNNUSUNRECDYFT-ARJAWSKDSA-N
XLogP4.34
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-4-[2-[7-methyl-6-[(Z)-prop-1-enyl]-5H-pyrrolo[1,2-c]imidazol-5-yl]ethyl]cyclohexyl]acetamide?
The IUPAC name of 2-[4-fluoro-4-[2-[7-methyl-6-[(Z)-prop-1-enyl]-5H-pyrrolo[1,2-c]imidazol-5-yl]ethyl]cyclohexyl]acetamide (CID 142610992) is 2-[4-fluoro-4-[2-[7-methyl-6-[(Z)-prop-1-enyl]-5H-pyrrolo[1,2-c]imidazol-5-yl]ethyl]cyclohexyl]acetamide.
What is the SMILES notation for 2-[4-fluoro-4-[2-[7-methyl-6-[(Z)-prop-1-enyl]-5H-pyrrolo[1,2-c]imidazol-5-yl]ethyl]cyclohexyl]acetamide?
The canonical SMILES for 2-[4-fluoro-4-[2-[7-methyl-6-[(Z)-prop-1-enyl]-5H-pyrrolo[1,2-c]imidazol-5-yl]ethyl]cyclohexyl]acetamide is C/C=C\C1=C(C)c2cncn2C1CCC1(F)CCC(CC(N)=O)CC1.
What is the InChIKey of 2-[4-fluoro-4-[2-[7-methyl-6-[(Z)-prop-1-enyl]-5H-pyrrolo[1,2-c]imidazol-5-yl]ethyl]cyclohexyl]acetamide?
The InChIKey is YNNUSUNRECDYFT-ARJAWSKDSA-N. The full InChI is InChI=1S/C20H28FN3O/c1-3-4-16-14(2)18-12-23-13-24(18)17(16)7-10-20(21)8-5-15(6-9-20)11-19(22)25/h3-4,12-13,15,17H,5-11H2,1-2H3,(H2,22,25)/b4-3-.
What are the key properties of 2-[4-fluoro-4-[2-[7-methyl-6-[(Z)-prop-1-enyl]-5H-pyrrolo[1,2-c]imidazol-5-yl]ethyl]cyclohexyl]acetamide?
2-[4-fluoro-4-[2-[7-methyl-6-[(Z)-prop-1-enyl]-5H-pyrrolo[1,2-c]imidazol-5-yl]ethyl]cyclohexyl]acetamide has a molecular weight of 345.46 g/mol, XLogP of 4.34, 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-[7-methyl-6-[(Z)-prop-1-enyl]-5H-pyrrolo[1,2-c]imidazol-5-yl]ethyl]cyclohexyl]acetamide is sourced from PubChem (CID 142610992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).