5-propan-2-yl-2-(4-propan-2-ylthiophen-2-yl)-1H-indole

C18H21NS — CID 59476288

IUPAC5-propan-2-yl-2-(4-propan-2-ylthiophen-2-yl)-1H-indole
SMILESCC(C)c1csc(-c2cc3cc(C(C)C)ccc3[nH]2)c1
InChIInChI=1S/C18H21NS/c1-11(2)13-5-6-16-14(7-13)8-17(19-16)18-9-15(10-20-18)12(3)4/h5-12,19H,1-4H3
InChIKeyITXYVODCXFLBKF-UHFFFAOYSA-N
MW283.44 g/mol
LogP6.14
Rot. Bonds3

About 5-propan-2-yl-2-(4-propan-2-ylthiophen-2-yl)-1H-indole

5-propan-2-yl-2-(4-propan-2-ylthiophen-2-yl)-1H-indole (PubChem CID 59476288) has the molecular formula C18H21NS and a molecular weight of 283.44 g/mol. Its IUPAC name is 5-propan-2-yl-2-(4-propan-2-ylthiophen-2-yl)-1H-indole.

Molecular Properties

Compound Name5-propan-2-yl-2-(4-propan-2-ylthiophen-2-yl)-1H-indole
PubChem CID59476288
Molecular FormulaC18H21NS
Molecular Weight283.44 g/mol
Exact Mass283.14
IUPAC Name5-propan-2-yl-2-(4-propan-2-ylthiophen-2-yl)-1H-indole
SMILESCC(C)c1csc(-c2cc3cc(C(C)C)ccc3[nH]2)c1
InChIInChI=1S/C18H21NS/c1-11(2)13-5-6-16-14(7-13)8-17(19-16)18-9-15(10-20-18)12(3)4/h5-12,19H,1-4H3
InChIKeyITXYVODCXFLBKF-UHFFFAOYSA-N
XLogP6.14
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.44
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2-(4-propan-2-ylthiophen-2-yl)-1H-indole?
The IUPAC name of 5-propan-2-yl-2-(4-propan-2-ylthiophen-2-yl)-1H-indole (CID 59476288) is 5-propan-2-yl-2-(4-propan-2-ylthiophen-2-yl)-1H-indole.
What is the SMILES notation for 5-propan-2-yl-2-(4-propan-2-ylthiophen-2-yl)-1H-indole?
The canonical SMILES for 5-propan-2-yl-2-(4-propan-2-ylthiophen-2-yl)-1H-indole is CC(C)c1csc(-c2cc3cc(C(C)C)ccc3[nH]2)c1.
What is the InChIKey of 5-propan-2-yl-2-(4-propan-2-ylthiophen-2-yl)-1H-indole?
The InChIKey is ITXYVODCXFLBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NS/c1-11(2)13-5-6-16-14(7-13)8-17(19-16)18-9-15(10-20-18)12(3)4/h5-12,19H,1-4H3.
What are the key properties of 5-propan-2-yl-2-(4-propan-2-ylthiophen-2-yl)-1H-indole?
5-propan-2-yl-2-(4-propan-2-ylthiophen-2-yl)-1H-indole has a molecular weight of 283.44 g/mol, XLogP of 6.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2-(4-propan-2-ylthiophen-2-yl)-1H-indole is sourced from PubChem (CID 59476288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).