phenyl-(1-thiophen-2-ylindol-3-yl)methanimine

C19H14N2S — CID 144937892

IUPACphenyl-(1-thiophen-2-ylindol-3-yl)methanimine
SMILES[H]/N=C(\c1ccccc1)c1cn(-c2cccs2)c2ccccc12
InChIInChI=1S/C19H14N2S/c20-19(14-7-2-1-3-8-14)16-13-21(18-11-6-12-22-18)17-10-5-4-9-15(16)17/h1-13,20H/b20-19+
InChIKeyHMOJEHNHZINWDQ-FMQUCBEESA-N
MW302.40 g/mol
LogP5.11
Rot. Bonds3

About phenyl-(1-thiophen-2-ylindol-3-yl)methanimine

phenyl-(1-thiophen-2-ylindol-3-yl)methanimine (PubChem CID 144937892) has the molecular formula C19H14N2S and a molecular weight of 302.40 g/mol. Its IUPAC name is phenyl-(1-thiophen-2-ylindol-3-yl)methanimine.

Molecular Properties

Compound Namephenyl-(1-thiophen-2-ylindol-3-yl)methanimine
PubChem CID144937892
Molecular FormulaC19H14N2S
Molecular Weight302.40 g/mol
Exact Mass302.09
IUPAC Namephenyl-(1-thiophen-2-ylindol-3-yl)methanimine
SMILES[H]/N=C(\c1ccccc1)c1cn(-c2cccs2)c2ccccc12
InChIInChI=1S/C19H14N2S/c20-19(14-7-2-1-3-8-14)16-13-21(18-11-6-12-22-18)17-10-5-4-9-15(16)17/h1-13,20H/b20-19+
InChIKeyHMOJEHNHZINWDQ-FMQUCBEESA-N
XLogP5.11
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.40
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;phenyl-(1-thiophen-2-ylindol-3-yl)methanimine
CID 144937891
phenyl-(1-phenylindol-3-yl)methanimine;propanoic acid
CID 144937942
methyl 2-oxo-2-(1-thiophen-2-ylindol-3-yl)acetate
CID 22591996
[(E)-[1-oxo-1-(1-thiophen-2-ylindol-3-yl)propan-2-ylidene]amino] acetate
CID 126609674
[(E)-1-(1-thiophen-2-ylindol-3-yl)heptylideneamino] acetate
CID 126609661
[4-(3-ethanimidoylindol-1-yl)phenyl]-phenylmethanone
CID 144937847
benzoic acid;1-[1-(furan-2-yl)indol-3-yl]ethanimine
CID 144937936
2-(3-ethanimidoylindol-1-yl)benzonitrile
CID 145261088
1-(thiophene-2-carbonyl)indole-3-carboxylic acid
CID 82488295
5-[3-(3-methylbenzoyl)indol-1-yl]thiophene-2-carboxylic acid
CID 177381265
5-[3-(4-methylbenzoyl)indol-1-yl]thiophene-2-carboxylic acid
CID 177381266
1-[4-(N'-diazenylcarbamimidoyl)phenyl]indole-3-carboxamide
CID 163898338

Frequently Asked Questions

What is the IUPAC name of phenyl-(1-thiophen-2-ylindol-3-yl)methanimine?
The IUPAC name of phenyl-(1-thiophen-2-ylindol-3-yl)methanimine (CID 144937892) is phenyl-(1-thiophen-2-ylindol-3-yl)methanimine.
What is the SMILES notation for phenyl-(1-thiophen-2-ylindol-3-yl)methanimine?
The canonical SMILES for phenyl-(1-thiophen-2-ylindol-3-yl)methanimine is [H]/N=C(\c1ccccc1)c1cn(-c2cccs2)c2ccccc12.
What is the InChIKey of phenyl-(1-thiophen-2-ylindol-3-yl)methanimine?
The InChIKey is HMOJEHNHZINWDQ-FMQUCBEESA-N. The full InChI is InChI=1S/C19H14N2S/c20-19(14-7-2-1-3-8-14)16-13-21(18-11-6-12-22-18)17-10-5-4-9-15(16)17/h1-13,20H/b20-19+.
What are the key properties of phenyl-(1-thiophen-2-ylindol-3-yl)methanimine?
phenyl-(1-thiophen-2-ylindol-3-yl)methanimine has a molecular weight of 302.40 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(1-thiophen-2-ylindol-3-yl)methanimine is sourced from PubChem (CID 144937892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).