1-[2-[4-[1-(4-fluorophenyl)-6-methylindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one

C25H29FN4O — CID 11742887

IUPAC1-[2-[4-[1-(4-fluorophenyl)-6-methylindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESCc1ccc2c(C3CCN(CCN4CCNC4=O)CC3)cn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C25H29FN4O/c1-18-2-7-22-23(17-30(24(22)16-18)21-5-3-20(26)4-6-21)19-8-11-28(12-9-19)14-15-29-13-10-27-25(29)31/h2-7,16-17,19H,8-15H2,1H3,(H,27,31)
InChIKeyHTLQTFJVKLZPQC-UHFFFAOYSA-N
MW420.53 g/mol
LogP4.28
Rot. Bonds5

About 1-[2-[4-[1-(4-fluorophenyl)-6-methylindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one

1-[2-[4-[1-(4-fluorophenyl)-6-methylindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one (PubChem CID 11742887) has the molecular formula C25H29FN4O and a molecular weight of 420.53 g/mol. Its IUPAC name is 1-[2-[4-[1-(4-fluorophenyl)-6-methylindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[1-(4-fluorophenyl)-6-methylindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
PubChem CID11742887
Molecular FormulaC25H29FN4O
Molecular Weight420.53 g/mol
Exact Mass420.23
IUPAC Name1-[2-[4-[1-(4-fluorophenyl)-6-methylindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESCc1ccc2c(C3CCN(CCN4CCNC4=O)CC3)cn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C25H29FN4O/c1-18-2-7-22-23(17-30(24(22)16-18)21-5-3-20(26)4-6-21)19-8-11-28(12-9-19)14-15-29-13-10-27-25(29)31/h2-7,16-17,19H,8-15H2,1H3,(H,27,31)
InChIKeyHTLQTFJVKLZPQC-UHFFFAOYSA-N
XLogP4.28
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[1-(4-fluorophenyl)-6-methylindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[4-[1-(4-fluorophenyl)-6-methylindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one (CID 11742887) is 1-[2-[4-[1-(4-fluorophenyl)-6-methylindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-[1-(4-fluorophenyl)-6-methylindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[4-[1-(4-fluorophenyl)-6-methylindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one is Cc1ccc2c(C3CCN(CCN4CCNC4=O)CC3)cn(-c3ccc(F)cc3)c2c1.
What is the InChIKey of 1-[2-[4-[1-(4-fluorophenyl)-6-methylindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one?
The InChIKey is HTLQTFJVKLZPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O/c1-18-2-7-22-23(17-30(24(22)16-18)21-5-3-20(26)4-6-21)19-8-11-28(12-9-19)14-15-29-13-10-27-25(29)31/h2-7,16-17,19H,8-15H2,1H3,(H,27,31).
What are the key properties of 1-[2-[4-[1-(4-fluorophenyl)-6-methylindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one?
1-[2-[4-[1-(4-fluorophenyl)-6-methylindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one has a molecular weight of 420.53 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[1-(4-fluorophenyl)-6-methylindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 11742887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).