1-[(4-fluoro-1H-indol-2-yl)methyl]-3-methyl-2-phenylimidazolidin-4-one

C19H18FN3O — CID 166329404

IUPAC1-[(4-fluoro-1H-indol-2-yl)methyl]-3-methyl-2-phenylimidazolidin-4-one
SMILESCN1C(=O)CN(Cc2cc3c(F)cccc3[nH]2)C1c1ccccc1
InChIInChI=1S/C19H18FN3O/c1-22-18(24)12-23(19(22)13-6-3-2-4-7-13)11-14-10-15-16(20)8-5-9-17(15)21-14/h2-10,19,21H,11-12H2,1H3
InChIKeyVEDAFLSBDSWJJE-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.28
Rot. Bonds3

About 1-[(4-fluoro-1H-indol-2-yl)methyl]-3-methyl-2-phenylimidazolidin-4-one

1-[(4-fluoro-1H-indol-2-yl)methyl]-3-methyl-2-phenylimidazolidin-4-one (PubChem CID 166329404) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is 1-[(4-fluoro-1H-indol-2-yl)methyl]-3-methyl-2-phenylimidazolidin-4-one.

Molecular Properties

Compound Name1-[(4-fluoro-1H-indol-2-yl)methyl]-3-methyl-2-phenylimidazolidin-4-one
PubChem CID166329404
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name1-[(4-fluoro-1H-indol-2-yl)methyl]-3-methyl-2-phenylimidazolidin-4-one
SMILESCN1C(=O)CN(Cc2cc3c(F)cccc3[nH]2)C1c1ccccc1
InChIInChI=1S/C19H18FN3O/c1-22-18(24)12-23(19(22)13-6-3-2-4-7-13)11-14-10-15-16(20)8-5-9-17(15)21-14/h2-10,19,21H,11-12H2,1H3
InChIKeyVEDAFLSBDSWJJE-UHFFFAOYSA-N
XLogP3.28
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-1H-indol-2-yl)methyl]-3-methyl-2-phenylimidazolidin-4-one?
The IUPAC name of 1-[(4-fluoro-1H-indol-2-yl)methyl]-3-methyl-2-phenylimidazolidin-4-one (CID 166329404) is 1-[(4-fluoro-1H-indol-2-yl)methyl]-3-methyl-2-phenylimidazolidin-4-one.
What is the SMILES notation for 1-[(4-fluoro-1H-indol-2-yl)methyl]-3-methyl-2-phenylimidazolidin-4-one?
The canonical SMILES for 1-[(4-fluoro-1H-indol-2-yl)methyl]-3-methyl-2-phenylimidazolidin-4-one is CN1C(=O)CN(Cc2cc3c(F)cccc3[nH]2)C1c1ccccc1.
What is the InChIKey of 1-[(4-fluoro-1H-indol-2-yl)methyl]-3-methyl-2-phenylimidazolidin-4-one?
The InChIKey is VEDAFLSBDSWJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c1-22-18(24)12-23(19(22)13-6-3-2-4-7-13)11-14-10-15-16(20)8-5-9-17(15)21-14/h2-10,19,21H,11-12H2,1H3.
What are the key properties of 1-[(4-fluoro-1H-indol-2-yl)methyl]-3-methyl-2-phenylimidazolidin-4-one?
1-[(4-fluoro-1H-indol-2-yl)methyl]-3-methyl-2-phenylimidazolidin-4-one has a molecular weight of 323.37 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-1H-indol-2-yl)methyl]-3-methyl-2-phenylimidazolidin-4-one is sourced from PubChem (CID 166329404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).