(2Z)-N-[4-(difluoromethylsulfanyl)phenyl]-2-(1,3,3-trimethylindol-2-ylidene)ethanimine

C20H20F2N2S — CID 2376526

IUPAC(2Z)-N-[4-(difluoromethylsulfanyl)phenyl]-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
SMILESCN1/C(=C\C=N\c2ccc(SC(F)F)cc2)C(C)(C)c2ccccc21
InChIInChI=1S/C20H20F2N2S/c1-20(2)16-6-4-5-7-17(16)24(3)18(20)12-13-23-14-8-10-15(11-9-14)25-19(21)22/h4-13,19H,1-3H3/b18-12-,23-13+
InChIKeyMRBUWVMEVPUVOR-WVVFEJFTSA-N
MW358.46 g/mol
LogP6.02
Rot. Bonds4

About (2Z)-N-[4-(difluoromethylsulfanyl)phenyl]-2-(1,3,3-trimethylindol-2-ylidene)ethanimine

(2Z)-N-[4-(difluoromethylsulfanyl)phenyl]-2-(1,3,3-trimethylindol-2-ylidene)ethanimine (PubChem CID 2376526) has the molecular formula C20H20F2N2S and a molecular weight of 358.46 g/mol. Its IUPAC name is (2Z)-N-[4-(difluoromethylsulfanyl)phenyl]-2-(1,3,3-trimethylindol-2-ylidene)ethanimine.

Molecular Properties

Compound Name(2Z)-N-[4-(difluoromethylsulfanyl)phenyl]-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
PubChem CID2376526
Molecular FormulaC20H20F2N2S
Molecular Weight358.46 g/mol
Exact Mass358.13
IUPAC Name(2Z)-N-[4-(difluoromethylsulfanyl)phenyl]-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
SMILESCN1/C(=C\C=N\c2ccc(SC(F)F)cc2)C(C)(C)c2ccccc21
InChIInChI=1S/C20H20F2N2S/c1-20(2)16-6-4-5-7-17(16)24(3)18(20)12-13-23-14-8-10-15(11-9-14)25-19(21)22/h4-13,19H,1-3H3/b18-12-,23-13+
InChIKeyMRBUWVMEVPUVOR-WVVFEJFTSA-N
XLogP6.02
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.46
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2Z)-N-[4-(difluoromethylsulfanyl)phenyl]-2-(1,3,3-trimethylindol-2-ylidene)ethanimine 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

(2Z)-N-(4-phenyldiazenylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 30223942
(2Z)-N-(4-tert-butylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 2334878
(2Z)-N-pyridin-4-yl-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 21179247
N-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;hydrochloride
CID 170839740
N-naphthalen-2-yl-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 2830673
(2Z)-N-[4-(difluoromethylsulfanyl)phenyl]-2-(1,3,3-trimethylindol-2-ylidene)ethanethioamide
CID 2337318
(2Z)-1,3,3-trimethyl-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]indole
CID 18806794
N-(4-iodo-3-methylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 4087183
acetic acid;N-(4-ethoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 170845454
(2E)-N-(2,3,4-trifluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 2346200
dimethyl-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]azanium
CID 18526952
N-(2-tert-butylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 5215508

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-[4-(difluoromethylsulfanyl)phenyl]-2-(1,3,3-trimethylindol-2-ylidene)ethanimine?
The IUPAC name of (2Z)-N-[4-(difluoromethylsulfanyl)phenyl]-2-(1,3,3-trimethylindol-2-ylidene)ethanimine (CID 2376526) is (2Z)-N-[4-(difluoromethylsulfanyl)phenyl]-2-(1,3,3-trimethylindol-2-ylidene)ethanimine.
What is the SMILES notation for (2Z)-N-[4-(difluoromethylsulfanyl)phenyl]-2-(1,3,3-trimethylindol-2-ylidene)ethanimine?
The canonical SMILES for (2Z)-N-[4-(difluoromethylsulfanyl)phenyl]-2-(1,3,3-trimethylindol-2-ylidene)ethanimine is CN1/C(=C\C=N\c2ccc(SC(F)F)cc2)C(C)(C)c2ccccc21.
What is the InChIKey of (2Z)-N-[4-(difluoromethylsulfanyl)phenyl]-2-(1,3,3-trimethylindol-2-ylidene)ethanimine?
The InChIKey is MRBUWVMEVPUVOR-WVVFEJFTSA-N. The full InChI is InChI=1S/C20H20F2N2S/c1-20(2)16-6-4-5-7-17(16)24(3)18(20)12-13-23-14-8-10-15(11-9-14)25-19(21)22/h4-13,19H,1-3H3/b18-12-,23-13+.
What are the key properties of (2Z)-N-[4-(difluoromethylsulfanyl)phenyl]-2-(1,3,3-trimethylindol-2-ylidene)ethanimine?
(2Z)-N-[4-(difluoromethylsulfanyl)phenyl]-2-(1,3,3-trimethylindol-2-ylidene)ethanimine has a molecular weight of 358.46 g/mol, XLogP of 6.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-[4-(difluoromethylsulfanyl)phenyl]-2-(1,3,3-trimethylindol-2-ylidene)ethanimine is sourced from PubChem (CID 2376526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).