8-[1-(4-fluorophenyl)ethyl]-4-[3-methoxy-4-(4-methyl-4,5-dihydroimidazol-1-yl)phenyl]cinnoline

C27H25FN4O — CID 70265530

IUPAC8-[1-(4-fluorophenyl)ethyl]-4-[3-methoxy-4-(4-methyl-4,5-dihydroimidazol-1-yl)phenyl]cinnoline
SMILESCOc1cc(-c2cnnc3c(C(C)c4ccc(F)cc4)cccc23)ccc1N1C=NC(C)C1
InChIInChI=1S/C27H25FN4O/c1-17-15-32(16-29-17)25-12-9-20(13-26(25)33-3)24-14-30-31-27-22(5-4-6-23(24)27)18(2)19-7-10-21(28)11-8-19/h4-14,16-18H,15H2,1-3H3
InChIKeyVXIZMHMTCHJCAI-UHFFFAOYSA-N
MW440.52 g/mol
LogP5.83
Rot. Bonds5

About 8-[1-(4-fluorophenyl)ethyl]-4-[3-methoxy-4-(4-methyl-4,5-dihydroimidazol-1-yl)phenyl]cinnoline

8-[1-(4-fluorophenyl)ethyl]-4-[3-methoxy-4-(4-methyl-4,5-dihydroimidazol-1-yl)phenyl]cinnoline (PubChem CID 70265530) has the molecular formula C27H25FN4O and a molecular weight of 440.52 g/mol. Its IUPAC name is 8-[1-(4-fluorophenyl)ethyl]-4-[3-methoxy-4-(4-methyl-4,5-dihydroimidazol-1-yl)phenyl]cinnoline.

Molecular Properties

Compound Name8-[1-(4-fluorophenyl)ethyl]-4-[3-methoxy-4-(4-methyl-4,5-dihydroimidazol-1-yl)phenyl]cinnoline
PubChem CID70265530
Molecular FormulaC27H25FN4O
Molecular Weight440.52 g/mol
Exact Mass440.20
IUPAC Name8-[1-(4-fluorophenyl)ethyl]-4-[3-methoxy-4-(4-methyl-4,5-dihydroimidazol-1-yl)phenyl]cinnoline
SMILESCOc1cc(-c2cnnc3c(C(C)c4ccc(F)cc4)cccc23)ccc1N1C=NC(C)C1
InChIInChI=1S/C27H25FN4O/c1-17-15-32(16-29-17)25-12-9-20(13-26(25)33-3)24-14-30-31-27-22(5-4-6-23(24)27)18(2)19-7-10-21(28)11-8-19/h4-14,16-18H,15H2,1-3H3
InChIKeyVXIZMHMTCHJCAI-UHFFFAOYSA-N
XLogP5.83
TPSA50.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.52
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[1-(4-fluorophenyl)ethyl]-4-[3-methoxy-4-(4-methyl-4,5-dihydroimidazol-1-yl)phenyl]cinnoline?
The IUPAC name of 8-[1-(4-fluorophenyl)ethyl]-4-[3-methoxy-4-(4-methyl-4,5-dihydroimidazol-1-yl)phenyl]cinnoline (CID 70265530) is 8-[1-(4-fluorophenyl)ethyl]-4-[3-methoxy-4-(4-methyl-4,5-dihydroimidazol-1-yl)phenyl]cinnoline.
What is the SMILES notation for 8-[1-(4-fluorophenyl)ethyl]-4-[3-methoxy-4-(4-methyl-4,5-dihydroimidazol-1-yl)phenyl]cinnoline?
The canonical SMILES for 8-[1-(4-fluorophenyl)ethyl]-4-[3-methoxy-4-(4-methyl-4,5-dihydroimidazol-1-yl)phenyl]cinnoline is COc1cc(-c2cnnc3c(C(C)c4ccc(F)cc4)cccc23)ccc1N1C=NC(C)C1.
What is the InChIKey of 8-[1-(4-fluorophenyl)ethyl]-4-[3-methoxy-4-(4-methyl-4,5-dihydroimidazol-1-yl)phenyl]cinnoline?
The InChIKey is VXIZMHMTCHJCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN4O/c1-17-15-32(16-29-17)25-12-9-20(13-26(25)33-3)24-14-30-31-27-22(5-4-6-23(24)27)18(2)19-7-10-21(28)11-8-19/h4-14,16-18H,15H2,1-3H3.
What are the key properties of 8-[1-(4-fluorophenyl)ethyl]-4-[3-methoxy-4-(4-methyl-4,5-dihydroimidazol-1-yl)phenyl]cinnoline?
8-[1-(4-fluorophenyl)ethyl]-4-[3-methoxy-4-(4-methyl-4,5-dihydroimidazol-1-yl)phenyl]cinnoline has a molecular weight of 440.52 g/mol, XLogP of 5.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(4-fluorophenyl)ethyl]-4-[3-methoxy-4-(4-methyl-4,5-dihydroimidazol-1-yl)phenyl]cinnoline is sourced from PubChem (CID 70265530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).