7-ethenyl-5-[2-(1-fluorocyclohexyl)ethyl]-6-[(Z)-prop-1-enyl]-5H-pyrrolo[1,2-c]imidazole

C19H25FN2 — CID 139334402

IUPAC7-ethenyl-5-[2-(1-fluorocyclohexyl)ethyl]-6-[(Z)-prop-1-enyl]-5H-pyrrolo[1,2-c]imidazole
SMILESC=CC1=C(/C=C\C)C(CCC2(F)CCCCC2)n2cncc21
InChIInChI=1S/C19H25FN2/c1-3-8-16-15(4-2)18-13-21-14-22(18)17(16)9-12-19(20)10-6-5-7-11-19/h3-4,8,13-14,17H,2,5-7,9-12H2,1H3/b8-3-
InChIKeyAJTFXTYTNWSRQR-BAQGIRSFSA-N
MW300.42 g/mol
LogP5.41
Rot. Bonds5

About 7-ethenyl-5-[2-(1-fluorocyclohexyl)ethyl]-6-[(Z)-prop-1-enyl]-5H-pyrrolo[1,2-c]imidazole

7-ethenyl-5-[2-(1-fluorocyclohexyl)ethyl]-6-[(Z)-prop-1-enyl]-5H-pyrrolo[1,2-c]imidazole (PubChem CID 139334402) has the molecular formula C19H25FN2 and a molecular weight of 300.42 g/mol. Its IUPAC name is 7-ethenyl-5-[2-(1-fluorocyclohexyl)ethyl]-6-[(Z)-prop-1-enyl]-5H-pyrrolo[1,2-c]imidazole.

Molecular Properties

Compound Name7-ethenyl-5-[2-(1-fluorocyclohexyl)ethyl]-6-[(Z)-prop-1-enyl]-5H-pyrrolo[1,2-c]imidazole
PubChem CID139334402
Molecular FormulaC19H25FN2
Molecular Weight300.42 g/mol
Exact Mass300.20
IUPAC Name7-ethenyl-5-[2-(1-fluorocyclohexyl)ethyl]-6-[(Z)-prop-1-enyl]-5H-pyrrolo[1,2-c]imidazole
SMILESC=CC1=C(/C=C\C)C(CCC2(F)CCCCC2)n2cncc21
InChIInChI=1S/C19H25FN2/c1-3-8-16-15(4-2)18-13-21-14-22(18)17(16)9-12-19(20)10-6-5-7-11-19/h3-4,8,13-14,17H,2,5-7,9-12H2,1H3/b8-3-
InChIKeyAJTFXTYTNWSRQR-BAQGIRSFSA-N
XLogP5.41
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.42
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-ethenyl-5-[2-(1-fluorocyclohexyl)ethyl]-6-[(Z)-prop-1-enyl]-5H-pyrrolo[1,2-c]imidazole?
The IUPAC name of 7-ethenyl-5-[2-(1-fluorocyclohexyl)ethyl]-6-[(Z)-prop-1-enyl]-5H-pyrrolo[1,2-c]imidazole (CID 139334402) is 7-ethenyl-5-[2-(1-fluorocyclohexyl)ethyl]-6-[(Z)-prop-1-enyl]-5H-pyrrolo[1,2-c]imidazole.
What is the SMILES notation for 7-ethenyl-5-[2-(1-fluorocyclohexyl)ethyl]-6-[(Z)-prop-1-enyl]-5H-pyrrolo[1,2-c]imidazole?
The canonical SMILES for 7-ethenyl-5-[2-(1-fluorocyclohexyl)ethyl]-6-[(Z)-prop-1-enyl]-5H-pyrrolo[1,2-c]imidazole is C=CC1=C(/C=C\C)C(CCC2(F)CCCCC2)n2cncc21.
What is the InChIKey of 7-ethenyl-5-[2-(1-fluorocyclohexyl)ethyl]-6-[(Z)-prop-1-enyl]-5H-pyrrolo[1,2-c]imidazole?
The InChIKey is AJTFXTYTNWSRQR-BAQGIRSFSA-N. The full InChI is InChI=1S/C19H25FN2/c1-3-8-16-15(4-2)18-13-21-14-22(18)17(16)9-12-19(20)10-6-5-7-11-19/h3-4,8,13-14,17H,2,5-7,9-12H2,1H3/b8-3-.
What are the key properties of 7-ethenyl-5-[2-(1-fluorocyclohexyl)ethyl]-6-[(Z)-prop-1-enyl]-5H-pyrrolo[1,2-c]imidazole?
7-ethenyl-5-[2-(1-fluorocyclohexyl)ethyl]-6-[(Z)-prop-1-enyl]-5H-pyrrolo[1,2-c]imidazole has a molecular weight of 300.42 g/mol, XLogP of 5.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-5-[2-(1-fluorocyclohexyl)ethyl]-6-[(Z)-prop-1-enyl]-5H-pyrrolo[1,2-c]imidazole is sourced from PubChem (CID 139334402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).