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

C29H35F3N4O — CID 10097929

IUPAC1-[2-[4-[6-methyl-1-[3-(trifluoromethyl)phenyl]indol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one
SMILESCc1ccc2c(C3CCN(CCN4CCN(C(C)C)C4=O)CC3)cn(-c3cccc(C(F)(F)F)c3)c2c1
InChIInChI=1S/C29H35F3N4O/c1-20(2)35-16-15-34(28(35)37)14-13-33-11-9-22(10-12-33)26-19-36(27-17-21(3)7-8-25(26)27)24-6-4-5-23(18-24)29(30,31)32/h4-8,17-20,22H,9-16H2,1-3H3
InChIKeyKHMNDCKIIWBMLG-UHFFFAOYSA-N
MW512.62 g/mol
LogP6.28
Rot. Bonds6

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

1-[2-[4-[6-methyl-1-[3-(trifluoromethyl)phenyl]indol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one (PubChem CID 10097929) has the molecular formula C29H35F3N4O and a molecular weight of 512.62 g/mol. Its IUPAC name is 1-[2-[4-[6-methyl-1-[3-(trifluoromethyl)phenyl]indol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[6-methyl-1-[3-(trifluoromethyl)phenyl]indol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one
PubChem CID10097929
Molecular FormulaC29H35F3N4O
Molecular Weight512.62 g/mol
Exact Mass512.28
IUPAC Name1-[2-[4-[6-methyl-1-[3-(trifluoromethyl)phenyl]indol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one
SMILESCc1ccc2c(C3CCN(CCN4CCN(C(C)C)C4=O)CC3)cn(-c3cccc(C(F)(F)F)c3)c2c1
InChIInChI=1S/C29H35F3N4O/c1-20(2)35-16-15-34(28(35)37)14-13-33-11-9-22(10-12-33)26-19-36(27-17-21(3)7-8-25(26)27)24-6-4-5-23(18-24)29(30,31)32/h4-8,17-20,22H,9-16H2,1-3H3
InChIKeyKHMNDCKIIWBMLG-UHFFFAOYSA-N
XLogP6.28
TPSA31.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.62
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-[4-[6-methyl-1-[3-(trifluoromethyl)phenyl]indol-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-[3-(trifluoromethyl)phenyl]indol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?
The IUPAC name of 1-[2-[4-[6-methyl-1-[3-(trifluoromethyl)phenyl]indol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one (CID 10097929) is 1-[2-[4-[6-methyl-1-[3-(trifluoromethyl)phenyl]indol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-[6-methyl-1-[3-(trifluoromethyl)phenyl]indol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 1-[2-[4-[6-methyl-1-[3-(trifluoromethyl)phenyl]indol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one is Cc1ccc2c(C3CCN(CCN4CCN(C(C)C)C4=O)CC3)cn(-c3cccc(C(F)(F)F)c3)c2c1.
What is the InChIKey of 1-[2-[4-[6-methyl-1-[3-(trifluoromethyl)phenyl]indol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?
The InChIKey is KHMNDCKIIWBMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35F3N4O/c1-20(2)35-16-15-34(28(35)37)14-13-33-11-9-22(10-12-33)26-19-36(27-17-21(3)7-8-25(26)27)24-6-4-5-23(18-24)29(30,31)32/h4-8,17-20,22H,9-16H2,1-3H3.
What are the key properties of 1-[2-[4-[6-methyl-1-[3-(trifluoromethyl)phenyl]indol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?
1-[2-[4-[6-methyl-1-[3-(trifluoromethyl)phenyl]indol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one has a molecular weight of 512.62 g/mol, XLogP of 6.28, 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-[3-(trifluoromethyl)phenyl]indol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 10097929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).