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

C28H35ClN4O — CID 10073825

IUPAC1-[2-[4-[1-(4-chlorophenyl)-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(Cl)cc3)c2c1
InChIInChI=1S/C28H35ClN4O/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
InChIKeyQMJKMWYSEUGRLA-UHFFFAOYSA-N
MW479.07 g/mol
LogP5.92
Rot. Bonds6

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

1-[2-[4-[1-(4-chlorophenyl)-6-methylindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one (PubChem CID 10073825) has the molecular formula C28H35ClN4O and a molecular weight of 479.07 g/mol. Its IUPAC name is 1-[2-[4-[1-(4-chlorophenyl)-6-methylindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[1-(4-chlorophenyl)-6-methylindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one
PubChem CID10073825
Molecular FormulaC28H35ClN4O
Molecular Weight479.07 g/mol
Exact Mass478.25
IUPAC Name1-[2-[4-[1-(4-chlorophenyl)-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(Cl)cc3)c2c1
InChIInChI=1S/C28H35ClN4O/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
InChIKeyQMJKMWYSEUGRLA-UHFFFAOYSA-N
XLogP5.92
TPSA31.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.07
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[1-(4-chlorophenyl)-6-methylindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?
The IUPAC name of 1-[2-[4-[1-(4-chlorophenyl)-6-methylindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one (CID 10073825) is 1-[2-[4-[1-(4-chlorophenyl)-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-chlorophenyl)-6-methylindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 1-[2-[4-[1-(4-chlorophenyl)-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(Cl)cc3)c2c1.
What is the InChIKey of 1-[2-[4-[1-(4-chlorophenyl)-6-methylindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?
The InChIKey is QMJKMWYSEUGRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35ClN4O/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-chlorophenyl)-6-methylindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?
1-[2-[4-[1-(4-chlorophenyl)-6-methylindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one has a molecular weight of 479.07 g/mol, XLogP of 5.92, 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-chlorophenyl)-6-methylindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 10073825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).