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

C28H35FN4O — CID 10004551

IUPAC1-[2-[4-[1-(4-fluorophenyl)-6-methylindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one
SMILESCc1ccc2c(C3CCN(CCN4CCN(C(C)C)C4=O)CC3)cn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C28H35FN4O/c1-20(2)32-17-16-31(28(32)34)15-14-30-12-10-22(11-13-30)26-19-33(24-7-5-23(29)6-8-24)27-18-21(3)4-9-25(26)27/h4-9,18-20,22H,10-17H2,1-3H3
InChIKeyKGASELUWIGUZKN-UHFFFAOYSA-N
MW462.61 g/mol
LogP5.40
Rot. Bonds6

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

1-[2-[4-[1-(4-fluorophenyl)-6-methylindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one (PubChem CID 10004551) has the molecular formula C28H35FN4O and a molecular weight of 462.61 g/mol. Its IUPAC name is 1-[2-[4-[1-(4-fluorophenyl)-6-methylindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[1-(4-fluorophenyl)-6-methylindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one
PubChem CID10004551
Molecular FormulaC28H35FN4O
Molecular Weight462.61 g/mol
Exact Mass462.28
IUPAC Name1-[2-[4-[1-(4-fluorophenyl)-6-methylindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one
SMILESCc1ccc2c(C3CCN(CCN4CCN(C(C)C)C4=O)CC3)cn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C28H35FN4O/c1-20(2)32-17-16-31(28(32)34)15-14-30-12-10-22(11-13-30)26-19-33(24-7-5-23(29)6-8-24)27-18-21(3)4-9-25(26)27/h4-9,18-20,22H,10-17H2,1-3H3
InChIKeyKGASELUWIGUZKN-UHFFFAOYSA-N
XLogP5.40
TPSA31.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.61
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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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]-3-propan-2-ylimidazolidin-2-one?
The IUPAC name of 1-[2-[4-[1-(4-fluorophenyl)-6-methylindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one (CID 10004551) is 1-[2-[4-[1-(4-fluorophenyl)-6-methylindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-[1-(4-fluorophenyl)-6-methylindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 1-[2-[4-[1-(4-fluorophenyl)-6-methylindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one is Cc1ccc2c(C3CCN(CCN4CCN(C(C)C)C4=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]-3-propan-2-ylimidazolidin-2-one?
The InChIKey is KGASELUWIGUZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35FN4O/c1-20(2)32-17-16-31(28(32)34)15-14-30-12-10-22(11-13-30)26-19-33(24-7-5-23(29)6-8-24)27-18-21(3)4-9-25(26)27/h4-9,18-20,22H,10-17H2,1-3H3.
What are the key properties of 1-[2-[4-[1-(4-fluorophenyl)-6-methylindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?
1-[2-[4-[1-(4-fluorophenyl)-6-methylindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one has a molecular weight of 462.61 g/mol, XLogP of 5.40, 6 rotatable bonds, 0 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]-3-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 10004551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).