3-benzyl-2-thiophen-2-yl-1H-indole

C19H15NS — CID 11087509

IUPAC3-benzyl-2-thiophen-2-yl-1H-indole
SMILESc1ccc(Cc2c(-c3cccs3)[nH]c3ccccc23)cc1
InChIInChI=1S/C19H15NS/c1-2-7-14(8-3-1)13-16-15-9-4-5-10-17(15)20-19(16)18-11-6-12-21-18/h1-12,20H,13H2
InChIKeyABHULCRFUGEMPF-UHFFFAOYSA-N
MW289.40 g/mol
LogP5.49
Rot. Bonds3

About 3-benzyl-2-thiophen-2-yl-1H-indole

3-benzyl-2-thiophen-2-yl-1H-indole (PubChem CID 11087509) has the molecular formula C19H15NS and a molecular weight of 289.40 g/mol. Its IUPAC name is 3-benzyl-2-thiophen-2-yl-1H-indole.

Molecular Properties

Compound Name3-benzyl-2-thiophen-2-yl-1H-indole
PubChem CID11087509
Molecular FormulaC19H15NS
Molecular Weight289.40 g/mol
Exact Mass289.09
IUPAC Name3-benzyl-2-thiophen-2-yl-1H-indole
SMILESc1ccc(Cc2c(-c3cccs3)[nH]c3ccccc23)cc1
InChIInChI=1S/C19H15NS/c1-2-7-14(8-3-1)13-16-15-9-4-5-10-17(15)20-19(16)18-11-6-12-21-18/h1-12,20H,13H2
InChIKeyABHULCRFUGEMPF-UHFFFAOYSA-N
XLogP5.49
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 ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-benzyl-2-chloro-1H-indole
CID 12605517
2-(3-benzyl-1H-indol-2-yl)phenol
CID 142650095
2-[(2-thiophen-2-yl-1H-indol-3-yl)sulfanyl]acetic acid
CID 674281
3-[(E)-but-1-enyl]-2-thiophen-2-yl-1H-indole
CID 102241289
3-nitro-2-thiophen-2-yl-1H-indole
CID 102172712
4-phenylmethoxy-3-thiophen-2-yl-1H-quinolin-2-one
CID 50916853
2-benzyl-3-ethyl-1H-indole
CID 13115106
3-benzyl-2-ethylsulfanyl-1H-indole
CID 11414484
(2-benzyl-1H-indol-3-yl)methanol
CID 129187349
2-thiophen-2-yl-3H-benzo[e]indole
CID 131886269
3-benzyl-1H-indole-2-carboxamide
CID 70180298
1-[4-(3-benzyl-1H-indol-2-yl)phenyl]ethanone
CID 101026071

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-thiophen-2-yl-1H-indole?
The IUPAC name of 3-benzyl-2-thiophen-2-yl-1H-indole (CID 11087509) is 3-benzyl-2-thiophen-2-yl-1H-indole.
What is the SMILES notation for 3-benzyl-2-thiophen-2-yl-1H-indole?
The canonical SMILES for 3-benzyl-2-thiophen-2-yl-1H-indole is c1ccc(Cc2c(-c3cccs3)[nH]c3ccccc23)cc1.
What is the InChIKey of 3-benzyl-2-thiophen-2-yl-1H-indole?
The InChIKey is ABHULCRFUGEMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NS/c1-2-7-14(8-3-1)13-16-15-9-4-5-10-17(15)20-19(16)18-11-6-12-21-18/h1-12,20H,13H2.
What are the key properties of 3-benzyl-2-thiophen-2-yl-1H-indole?
3-benzyl-2-thiophen-2-yl-1H-indole has a molecular weight of 289.40 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-thiophen-2-yl-1H-indole is sourced from PubChem (CID 11087509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).