(4-fluorophenyl)-[1-[(1-methylimidazol-4-yl)methyl]-4-naphthalen-1-ylpyrrol-3-yl]methanone

C26H20FN3O — CID 18410151

IUPAC(4-fluorophenyl)-[1-[(1-methylimidazol-4-yl)methyl]-4-naphthalen-1-ylpyrrol-3-yl]methanone
SMILESCn1cnc(Cn2cc(C(=O)c3ccc(F)cc3)c(-c3cccc4ccccc34)c2)c1
InChIInChI=1S/C26H20FN3O/c1-29-13-21(28-17-29)14-30-15-24(23-8-4-6-18-5-2-3-7-22(18)23)25(16-30)26(31)19-9-11-20(27)12-10-19/h2-13,15-17H,14H2,1H3
InChIKeyZPTJAZCUNYVXMW-UHFFFAOYSA-N
MW409.46 g/mol
LogP5.46
Rot. Bonds5

About (4-fluorophenyl)-[1-[(1-methylimidazol-4-yl)methyl]-4-naphthalen-1-ylpyrrol-3-yl]methanone

(4-fluorophenyl)-[1-[(1-methylimidazol-4-yl)methyl]-4-naphthalen-1-ylpyrrol-3-yl]methanone (PubChem CID 18410151) has the molecular formula C26H20FN3O and a molecular weight of 409.46 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-[(1-methylimidazol-4-yl)methyl]-4-naphthalen-1-ylpyrrol-3-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-[(1-methylimidazol-4-yl)methyl]-4-naphthalen-1-ylpyrrol-3-yl]methanone
PubChem CID18410151
Molecular FormulaC26H20FN3O
Molecular Weight409.46 g/mol
Exact Mass409.16
IUPAC Name(4-fluorophenyl)-[1-[(1-methylimidazol-4-yl)methyl]-4-naphthalen-1-ylpyrrol-3-yl]methanone
SMILESCn1cnc(Cn2cc(C(=O)c3ccc(F)cc3)c(-c3cccc4ccccc34)c2)c1
InChIInChI=1S/C26H20FN3O/c1-29-13-21(28-17-29)14-30-15-24(23-8-4-6-18-5-2-3-7-22(18)23)25(16-30)26(31)19-9-11-20(27)12-10-19/h2-13,15-17H,14H2,1H3
InChIKeyZPTJAZCUNYVXMW-UHFFFAOYSA-N
XLogP5.46
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.46
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-[(1-methylimidazol-4-yl)methyl]-4-naphthalen-1-ylpyrrol-3-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-[(1-methylimidazol-4-yl)methyl]-4-naphthalen-1-ylpyrrol-3-yl]methanone (CID 18410151) is (4-fluorophenyl)-[1-[(1-methylimidazol-4-yl)methyl]-4-naphthalen-1-ylpyrrol-3-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-[(1-methylimidazol-4-yl)methyl]-4-naphthalen-1-ylpyrrol-3-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-[(1-methylimidazol-4-yl)methyl]-4-naphthalen-1-ylpyrrol-3-yl]methanone is Cn1cnc(Cn2cc(C(=O)c3ccc(F)cc3)c(-c3cccc4ccccc34)c2)c1.
What is the InChIKey of (4-fluorophenyl)-[1-[(1-methylimidazol-4-yl)methyl]-4-naphthalen-1-ylpyrrol-3-yl]methanone?
The InChIKey is ZPTJAZCUNYVXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN3O/c1-29-13-21(28-17-29)14-30-15-24(23-8-4-6-18-5-2-3-7-22(18)23)25(16-30)26(31)19-9-11-20(27)12-10-19/h2-13,15-17H,14H2,1H3.
What are the key properties of (4-fluorophenyl)-[1-[(1-methylimidazol-4-yl)methyl]-4-naphthalen-1-ylpyrrol-3-yl]methanone?
(4-fluorophenyl)-[1-[(1-methylimidazol-4-yl)methyl]-4-naphthalen-1-ylpyrrol-3-yl]methanone has a molecular weight of 409.46 g/mol, XLogP of 5.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-[(1-methylimidazol-4-yl)methyl]-4-naphthalen-1-ylpyrrol-3-yl]methanone is sourced from PubChem (CID 18410151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).