N-(4-iodo-3-methylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine

C20H21IN2 — CID 4087183

IUPACN-(4-iodo-3-methylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
SMILESCc1cc(/N=C/C=C2N(C)c3ccccc3C2(C)C)ccc1I
InChIInChI=1S/C20H21IN2/c1-14-13-15(9-10-17(14)21)22-12-11-19-20(2,3)16-7-5-6-8-18(16)23(19)4/h5-13H,1-4H3/b19-11?,22-12+
InChIKeyJTJLIJSIVCDITR-XIAASDDCSA-N
MW416.31 g/mol
LogP5.61
Rot. Bonds2

About N-(4-iodo-3-methylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine

N-(4-iodo-3-methylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine (PubChem CID 4087183) has the molecular formula C20H21IN2 and a molecular weight of 416.31 g/mol. Its IUPAC name is N-(4-iodo-3-methylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine.

Molecular Properties

Compound NameN-(4-iodo-3-methylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
PubChem CID4087183
Molecular FormulaC20H21IN2
Molecular Weight416.31 g/mol
Exact Mass416.07
IUPAC NameN-(4-iodo-3-methylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
SMILESCc1cc(/N=C/C=C2N(C)c3ccccc3C2(C)C)ccc1I
InChIInChI=1S/C20H21IN2/c1-14-13-15(9-10-17(14)21)22-12-11-19-20(2,3)16-7-5-6-8-18(16)23(19)4/h5-13H,1-4H3/b19-11?,22-12+
InChIKeyJTJLIJSIVCDITR-XIAASDDCSA-N
XLogP5.61
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.31
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-naphthalen-2-yl-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 2830673
(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
(2Z)-1,3,3-trimethyl-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]indole
CID 18806794
(2Z)-N-[4-(difluoromethylsulfanyl)phenyl]-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 2376526
6-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]-3H-1,3-benzoxazol-2-one
CID 1205751
acetic acid;N-(4-ethoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 170845454
(E,2Z)-N-(1,3-thiazol-2-yl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 21179241
N-(2-tert-butylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 5215508
(2E)-N-(2,3,4-trifluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 2346200

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-3-methylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine?
The IUPAC name of N-(4-iodo-3-methylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine (CID 4087183) is N-(4-iodo-3-methylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine.
What is the SMILES notation for N-(4-iodo-3-methylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine?
The canonical SMILES for N-(4-iodo-3-methylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine is Cc1cc(/N=C/C=C2N(C)c3ccccc3C2(C)C)ccc1I.
What is the InChIKey of N-(4-iodo-3-methylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine?
The InChIKey is JTJLIJSIVCDITR-XIAASDDCSA-N. The full InChI is InChI=1S/C20H21IN2/c1-14-13-15(9-10-17(14)21)22-12-11-19-20(2,3)16-7-5-6-8-18(16)23(19)4/h5-13H,1-4H3/b19-11?,22-12+.
What are the key properties of N-(4-iodo-3-methylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine?
N-(4-iodo-3-methylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine has a molecular weight of 416.31 g/mol, XLogP of 5.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-3-methylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine is sourced from PubChem (CID 4087183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).