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

C28H36N4O — CID 11744188

IUPAC1-[2-[4-(6-methyl-1-phenylindol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one
SMILESCc1ccc2c(C3CCN(CCN4CCN(C(C)C)C4=O)CC3)cn(-c3ccccc3)c2c1
InChIInChI=1S/C28H36N4O/c1-21(2)31-18-17-30(28(31)33)16-15-29-13-11-23(12-14-29)26-20-32(24-7-5-4-6-8-24)27-19-22(3)9-10-25(26)27/h4-10,19-21,23H,11-18H2,1-3H3
InChIKeyNVDGVHLBFYZKSO-UHFFFAOYSA-N
MW444.62 g/mol
LogP5.26
Rot. Bonds6

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

1-[2-[4-(6-methyl-1-phenylindol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one (PubChem CID 11744188) has the molecular formula C28H36N4O and a molecular weight of 444.62 g/mol. Its IUPAC name is 1-[2-[4-(6-methyl-1-phenylindol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(6-methyl-1-phenylindol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one
PubChem CID11744188
Molecular FormulaC28H36N4O
Molecular Weight444.62 g/mol
Exact Mass444.29
IUPAC Name1-[2-[4-(6-methyl-1-phenylindol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one
SMILESCc1ccc2c(C3CCN(CCN4CCN(C(C)C)C4=O)CC3)cn(-c3ccccc3)c2c1
InChIInChI=1S/C28H36N4O/c1-21(2)31-18-17-30(28(31)33)16-15-29-13-11-23(12-14-29)26-20-32(24-7-5-4-6-8-24)27-19-22(3)9-10-25(26)27/h4-10,19-21,23H,11-18H2,1-3H3
InChIKeyNVDGVHLBFYZKSO-UHFFFAOYSA-N
XLogP5.26
TPSA31.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.62
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-[4-(6-methyl-1-phenylindol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(6-methyl-1-phenylindol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?
The IUPAC name of 1-[2-[4-(6-methyl-1-phenylindol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one (CID 11744188) is 1-[2-[4-(6-methyl-1-phenylindol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-(6-methyl-1-phenylindol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 1-[2-[4-(6-methyl-1-phenylindol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one is Cc1ccc2c(C3CCN(CCN4CCN(C(C)C)C4=O)CC3)cn(-c3ccccc3)c2c1.
What is the InChIKey of 1-[2-[4-(6-methyl-1-phenylindol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?
The InChIKey is NVDGVHLBFYZKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O/c1-21(2)31-18-17-30(28(31)33)16-15-29-13-11-23(12-14-29)26-20-32(24-7-5-4-6-8-24)27-19-22(3)9-10-25(26)27/h4-10,19-21,23H,11-18H2,1-3H3.
What are the key properties of 1-[2-[4-(6-methyl-1-phenylindol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?
1-[2-[4-(6-methyl-1-phenylindol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one has a molecular weight of 444.62 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(6-methyl-1-phenylindol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 11744188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).