5-[3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-2-methylindol-1-yl]pentyl N-propylmethanimidate

C32H32F6N2OS — CID 90687353

IUPAC5-[3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-2-methylindol-1-yl]pentyl N-propylmethanimidate
SMILESCCC/N=C/OCCCCCn1c(C)c(C2=C(c3c(C)sc4ccccc34)C(F)(F)C(F)(F)C2(F)F)c2ccccc21
InChIInChI=1S/C32H32F6N2OS/c1-4-16-39-19-41-18-11-5-10-17-40-20(2)26(22-12-6-8-14-24(22)40)28-29(31(35,36)32(37,38)30(28,33)34)27-21(3)42-25-15-9-7-13-23(25)27/h6-9,12-15,19H,4-5,10-11,16-18H2,1-3H3/b39-19+
InChIKeyGUOKVSZFKHUZCR-NNRJCLOKSA-N
MW606.68 g/mol
LogP9.93
Rot. Bonds11

About 5-[3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-2-methylindol-1-yl]pentyl N-propylmethanimidate

5-[3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-2-methylindol-1-yl]pentyl N-propylmethanimidate (PubChem CID 90687353) has the molecular formula C32H32F6N2OS and a molecular weight of 606.68 g/mol. Its IUPAC name is 5-[3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-2-methylindol-1-yl]pentyl N-propylmethanimidate.

Molecular Properties

Compound Name5-[3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-2-methylindol-1-yl]pentyl N-propylmethanimidate
PubChem CID90687353
Molecular FormulaC32H32F6N2OS
Molecular Weight606.68 g/mol
Exact Mass606.21
IUPAC Name5-[3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-2-methylindol-1-yl]pentyl N-propylmethanimidate
SMILESCCC/N=C/OCCCCCn1c(C)c(C2=C(c3c(C)sc4ccccc34)C(F)(F)C(F)(F)C2(F)F)c2ccccc21
InChIInChI=1S/C32H32F6N2OS/c1-4-16-39-19-41-18-11-5-10-17-40-20(2)26(22-12-6-8-14-24(22)40)28-29(31(35,36)32(37,38)30(28,33)34)27-21(3)42-25-15-9-7-13-23(25)27/h6-9,12-15,19H,4-5,10-11,16-18H2,1-3H3/b39-19+
InChIKeyGUOKVSZFKHUZCR-NNRJCLOKSA-N
XLogP9.93
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.68
LogP ≤ 59.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 5-[3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-2-methylindol-1-yl]pentyl N-propylmethanimidate with MolForge

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

Launch Full Analysis

Related Compounds

1-butyl-3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-2-methylindole
CID 129295391
1-[[4-[2-(1-butyl-2-methylindol-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]methoxy]-2,2-dimethylpropan-1-ol
CID 129299619
3-[3,3,4,4,5,5-hexafluoro-2-(2-hexyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-2-hexyl-1-benzothiophene
CID 101397460
2-[2-methyl-3-[2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]indol-1-yl]ethanol
CID 23588707
3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-3H-inden-1-yl)cyclopenten-1-yl]-2-methyl-1-benzothiophene
CID 101389196
[2-methyl-1-(7-propoxyheptyl)indol-3-yl]-phenylmethanone
CID 70527772
11-hexyl-[1]benzothiolo[3,2-b]carbazole
CID 71062032
9-docosylcarbazole
CID 10528568
9-hexadecylcarbazole
CID 4166588
2-ethenyl-1-methyl-3-(2-methyl-1-benzothiophen-3-yl)indole
CID 144848350
(2-methyl-1-undecylindol-3-yl)-phenylmethanone
CID 70525759
15-hexadecyl-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene
CID 135242745

Frequently Asked Questions

What is the IUPAC name of 5-[3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-2-methylindol-1-yl]pentyl N-propylmethanimidate?
The IUPAC name of 5-[3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-2-methylindol-1-yl]pentyl N-propylmethanimidate (CID 90687353) is 5-[3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-2-methylindol-1-yl]pentyl N-propylmethanimidate.
What is the SMILES notation for 5-[3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-2-methylindol-1-yl]pentyl N-propylmethanimidate?
The canonical SMILES for 5-[3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-2-methylindol-1-yl]pentyl N-propylmethanimidate is CCC/N=C/OCCCCCn1c(C)c(C2=C(c3c(C)sc4ccccc34)C(F)(F)C(F)(F)C2(F)F)c2ccccc21.
What is the InChIKey of 5-[3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-2-methylindol-1-yl]pentyl N-propylmethanimidate?
The InChIKey is GUOKVSZFKHUZCR-NNRJCLOKSA-N. The full InChI is InChI=1S/C32H32F6N2OS/c1-4-16-39-19-41-18-11-5-10-17-40-20(2)26(22-12-6-8-14-24(22)40)28-29(31(35,36)32(37,38)30(28,33)34)27-21(3)42-25-15-9-7-13-23(25)27/h6-9,12-15,19H,4-5,10-11,16-18H2,1-3H3/b39-19+.
What are the key properties of 5-[3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-2-methylindol-1-yl]pentyl N-propylmethanimidate?
5-[3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-2-methylindol-1-yl]pentyl N-propylmethanimidate has a molecular weight of 606.68 g/mol, XLogP of 9.93, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-2-methylindol-1-yl]pentyl N-propylmethanimidate is sourced from PubChem (CID 90687353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).