5-tert-butyl-2-(5-chlorothiophen-2-yl)-1H-indole

C16H16ClNS — CID 131887140

IUPAC5-tert-butyl-2-(5-chlorothiophen-2-yl)-1H-indole
SMILESCC(C)(C)c1ccc2[nH]c(-c3ccc(Cl)s3)cc2c1
InChIInChI=1S/C16H16ClNS/c1-16(2,3)11-4-5-12-10(8-11)9-13(18-12)14-6-7-15(17)19-14/h4-9,18H,1-3H3
InChIKeyVHIXDVJEYUHTEZ-UHFFFAOYSA-N
MW289.83 g/mol
LogP5.85
Rot. Bonds1

About 5-tert-butyl-2-(5-chlorothiophen-2-yl)-1H-indole

5-tert-butyl-2-(5-chlorothiophen-2-yl)-1H-indole (PubChem CID 131887140) has the molecular formula C16H16ClNS and a molecular weight of 289.83 g/mol. Its IUPAC name is 5-tert-butyl-2-(5-chlorothiophen-2-yl)-1H-indole.

Molecular Properties

Compound Name5-tert-butyl-2-(5-chlorothiophen-2-yl)-1H-indole
PubChem CID131887140
Molecular FormulaC16H16ClNS
Molecular Weight289.83 g/mol
Exact Mass289.07
IUPAC Name5-tert-butyl-2-(5-chlorothiophen-2-yl)-1H-indole
SMILESCC(C)(C)c1ccc2[nH]c(-c3ccc(Cl)s3)cc2c1
InChIInChI=1S/C16H16ClNS/c1-16(2,3)11-4-5-12-10(8-11)9-13(18-12)14-6-7-15(17)19-14/h4-9,18H,1-3H3
InChIKeyVHIXDVJEYUHTEZ-UHFFFAOYSA-N
XLogP5.85
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.83
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-chlorothiophen-2-yl)-5-methyl-1H-indole
CID 131886787
2-(5-chlorothiophen-2-yl)-1H-indole
CID 56687027
5-tert-butyl-2-pyridin-4-yl-1H-indole
CID 131887138
5-tert-butyl-2-(2-methylphenyl)-1H-indole
CID 131887127
2-[5-(1H-indol-2-yl)thiophen-2-yl]-1H-indole
CID 141030381
5-tert-butyl-2-(trifluoromethyl)-1H-indole
CID 84629986
2-(4-tert-butylphenyl)-5-methyl-1H-indole
CID 36688009
1-(5-tert-butyl-1H-indol-2-yl)ethanamine
CID 84622424
6-tert-butyl-2-oxo-1H-quinoline-3-carboxylic acid
CID 22690291
2-(3-tert-butylphenyl)-5-ethenyl-1H-indole
CID 138751764
3-chloro-6-(trifluoromethyl)-1H-quinolin-2-one
CID 146035766
1-(6-tert-butyl-1H-benzimidazol-2-yl)-2-(5-chlorothiophen-2-yl)-7,7-dimethyl-6,8-dihydroimidazo[2,1-b][1,3]benzothiazol-5-one
CID 171392882

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(5-chlorothiophen-2-yl)-1H-indole?
The IUPAC name of 5-tert-butyl-2-(5-chlorothiophen-2-yl)-1H-indole (CID 131887140) is 5-tert-butyl-2-(5-chlorothiophen-2-yl)-1H-indole.
What is the SMILES notation for 5-tert-butyl-2-(5-chlorothiophen-2-yl)-1H-indole?
The canonical SMILES for 5-tert-butyl-2-(5-chlorothiophen-2-yl)-1H-indole is CC(C)(C)c1ccc2[nH]c(-c3ccc(Cl)s3)cc2c1.
What is the InChIKey of 5-tert-butyl-2-(5-chlorothiophen-2-yl)-1H-indole?
The InChIKey is VHIXDVJEYUHTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNS/c1-16(2,3)11-4-5-12-10(8-11)9-13(18-12)14-6-7-15(17)19-14/h4-9,18H,1-3H3.
What are the key properties of 5-tert-butyl-2-(5-chlorothiophen-2-yl)-1H-indole?
5-tert-butyl-2-(5-chlorothiophen-2-yl)-1H-indole has a molecular weight of 289.83 g/mol, XLogP of 5.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(5-chlorothiophen-2-yl)-1H-indole is sourced from PubChem (CID 131887140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).