7-[(3-fluorophenyl)-imidazol-1-ylmethyl]-5-phenylimidazo[1,2-a]quinoline

C27H19FN4 — CID 23388846

IUPAC7-[(3-fluorophenyl)-imidazol-1-ylmethyl]-5-phenylimidazo[1,2-a]quinoline
SMILESFc1cccc(C(c2ccc3c(c2)c(-c2ccccc2)cc2nccn23)n2ccnc2)c1
InChIInChI=1S/C27H19FN4/c28-22-8-4-7-20(15-22)27(31-13-11-29-18-31)21-9-10-25-24(16-21)23(19-5-2-1-3-6-19)17-26-30-12-14-32(25)26/h1-18,27H
InChIKeyJVBXBJVZDLUQLY-UHFFFAOYSA-N
MW418.48 g/mol
LogP6.13
Rot. Bonds4

About 7-[(3-fluorophenyl)-imidazol-1-ylmethyl]-5-phenylimidazo[1,2-a]quinoline

7-[(3-fluorophenyl)-imidazol-1-ylmethyl]-5-phenylimidazo[1,2-a]quinoline (PubChem CID 23388846) has the molecular formula C27H19FN4 and a molecular weight of 418.48 g/mol. Its IUPAC name is 7-[(3-fluorophenyl)-imidazol-1-ylmethyl]-5-phenylimidazo[1,2-a]quinoline.

Molecular Properties

Compound Name7-[(3-fluorophenyl)-imidazol-1-ylmethyl]-5-phenylimidazo[1,2-a]quinoline
PubChem CID23388846
Molecular FormulaC27H19FN4
Molecular Weight418.48 g/mol
Exact Mass418.16
IUPAC Name7-[(3-fluorophenyl)-imidazol-1-ylmethyl]-5-phenylimidazo[1,2-a]quinoline
SMILESFc1cccc(C(c2ccc3c(c2)c(-c2ccccc2)cc2nccn23)n2ccnc2)c1
InChIInChI=1S/C27H19FN4/c28-22-8-4-7-20(15-22)27(31-13-11-29-18-31)21-9-10-25-24(16-21)23(19-5-2-1-3-6-19)17-26-30-12-14-32(25)26/h1-18,27H
InChIKeyJVBXBJVZDLUQLY-UHFFFAOYSA-N
XLogP6.13
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.48
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-fluorophenyl)-imidazol-1-ylmethyl]-5-phenylimidazo[1,2-a]quinoline?
The IUPAC name of 7-[(3-fluorophenyl)-imidazol-1-ylmethyl]-5-phenylimidazo[1,2-a]quinoline (CID 23388846) is 7-[(3-fluorophenyl)-imidazol-1-ylmethyl]-5-phenylimidazo[1,2-a]quinoline.
What is the SMILES notation for 7-[(3-fluorophenyl)-imidazol-1-ylmethyl]-5-phenylimidazo[1,2-a]quinoline?
The canonical SMILES for 7-[(3-fluorophenyl)-imidazol-1-ylmethyl]-5-phenylimidazo[1,2-a]quinoline is Fc1cccc(C(c2ccc3c(c2)c(-c2ccccc2)cc2nccn23)n2ccnc2)c1.
What is the InChIKey of 7-[(3-fluorophenyl)-imidazol-1-ylmethyl]-5-phenylimidazo[1,2-a]quinoline?
The InChIKey is JVBXBJVZDLUQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19FN4/c28-22-8-4-7-20(15-22)27(31-13-11-29-18-31)21-9-10-25-24(16-21)23(19-5-2-1-3-6-19)17-26-30-12-14-32(25)26/h1-18,27H.
What are the key properties of 7-[(3-fluorophenyl)-imidazol-1-ylmethyl]-5-phenylimidazo[1,2-a]quinoline?
7-[(3-fluorophenyl)-imidazol-1-ylmethyl]-5-phenylimidazo[1,2-a]quinoline has a molecular weight of 418.48 g/mol, XLogP of 6.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-fluorophenyl)-imidazol-1-ylmethyl]-5-phenylimidazo[1,2-a]quinoline is sourced from PubChem (CID 23388846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).