1-[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]-4-pyrazin-2-ylbutan-1-one

C19H19FN4O — CID 118230744

IUPAC1-[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]-4-pyrazin-2-ylbutan-1-one
SMILESC[C@H](c1ccc(F)cc1)n1cncc1C(=O)CCCc1cnccn1
InChIInChI=1S/C19H19FN4O/c1-14(15-5-7-16(20)8-6-15)24-13-22-12-18(24)19(25)4-2-3-17-11-21-9-10-23-17/h5-14H,2-4H2,1H3/t14-/m1/s1
InChIKeyPGIAQGWKMIPQLX-CQSZACIVSA-N
MW338.39 g/mol
LogP3.63
Rot. Bonds7

About 1-[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]-4-pyrazin-2-ylbutan-1-one

1-[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]-4-pyrazin-2-ylbutan-1-one (PubChem CID 118230744) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 1-[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]-4-pyrazin-2-ylbutan-1-one.

Molecular Properties

Compound Name1-[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]-4-pyrazin-2-ylbutan-1-one
PubChem CID118230744
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name1-[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]-4-pyrazin-2-ylbutan-1-one
SMILESC[C@H](c1ccc(F)cc1)n1cncc1C(=O)CCCc1cnccn1
InChIInChI=1S/C19H19FN4O/c1-14(15-5-7-16(20)8-6-15)24-13-22-12-18(24)19(25)4-2-3-17-11-21-9-10-23-17/h5-14H,2-4H2,1H3/t14-/m1/s1
InChIKeyPGIAQGWKMIPQLX-CQSZACIVSA-N
XLogP3.63
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]-4-pyrazin-2-ylbutan-1-one?
The IUPAC name of 1-[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]-4-pyrazin-2-ylbutan-1-one (CID 118230744) is 1-[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]-4-pyrazin-2-ylbutan-1-one.
What is the SMILES notation for 1-[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]-4-pyrazin-2-ylbutan-1-one?
The canonical SMILES for 1-[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]-4-pyrazin-2-ylbutan-1-one is C[C@H](c1ccc(F)cc1)n1cncc1C(=O)CCCc1cnccn1.
What is the InChIKey of 1-[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]-4-pyrazin-2-ylbutan-1-one?
The InChIKey is PGIAQGWKMIPQLX-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-14(15-5-7-16(20)8-6-15)24-13-22-12-18(24)19(25)4-2-3-17-11-21-9-10-23-17/h5-14H,2-4H2,1H3/t14-/m1/s1.
What are the key properties of 1-[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]-4-pyrazin-2-ylbutan-1-one?
1-[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]-4-pyrazin-2-ylbutan-1-one has a molecular weight of 338.39 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]-4-pyrazin-2-ylbutan-1-one is sourced from PubChem (CID 118230744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).