3-[phenyl(thiophen-2-yl)methyl]-1H-indole

C19H15NS — CID 10859200

IUPAC3-[phenyl(thiophen-2-yl)methyl]-1H-indole
SMILESc1ccc(C(c2cccs2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H15NS/c1-2-7-14(8-3-1)19(18-11-6-12-21-18)16-13-20-17-10-5-4-9-15(16)17/h1-13,19-20H
InChIKeyCGXOSQXETMFKAV-UHFFFAOYSA-N
MW289.40 g/mol
LogP5.41
Rot. Bonds3

About 3-[phenyl(thiophen-2-yl)methyl]-1H-indole

3-[phenyl(thiophen-2-yl)methyl]-1H-indole (PubChem CID 10859200) has the molecular formula C19H15NS and a molecular weight of 289.40 g/mol. Its IUPAC name is 3-[phenyl(thiophen-2-yl)methyl]-1H-indole.

Molecular Properties

Compound Name3-[phenyl(thiophen-2-yl)methyl]-1H-indole
PubChem CID10859200
Molecular FormulaC19H15NS
Molecular Weight289.40 g/mol
Exact Mass289.09
IUPAC Name3-[phenyl(thiophen-2-yl)methyl]-1H-indole
SMILESc1ccc(C(c2cccs2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H15NS/c1-2-7-14(8-3-1)19(18-11-6-12-21-18)16-13-20-17-10-5-4-9-15(16)17/h1-13,19-20H
InChIKeyCGXOSQXETMFKAV-UHFFFAOYSA-N
XLogP5.41
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.40
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[phenyl(thiophen-2-yl)methyl]-1H-indole?
The IUPAC name of 3-[phenyl(thiophen-2-yl)methyl]-1H-indole (CID 10859200) is 3-[phenyl(thiophen-2-yl)methyl]-1H-indole.
What is the SMILES notation for 3-[phenyl(thiophen-2-yl)methyl]-1H-indole?
The canonical SMILES for 3-[phenyl(thiophen-2-yl)methyl]-1H-indole is c1ccc(C(c2cccs2)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 3-[phenyl(thiophen-2-yl)methyl]-1H-indole?
The InChIKey is CGXOSQXETMFKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NS/c1-2-7-14(8-3-1)19(18-11-6-12-21-18)16-13-20-17-10-5-4-9-15(16)17/h1-13,19-20H.
What are the key properties of 3-[phenyl(thiophen-2-yl)methyl]-1H-indole?
3-[phenyl(thiophen-2-yl)methyl]-1H-indole has a molecular weight of 289.40 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[phenyl(thiophen-2-yl)methyl]-1H-indole is sourced from PubChem (CID 10859200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).