2-[(5-chlorothiophen-2-yl)methyl]-2-propan-2-yl-1,3-dihydroindole

C16H18ClNS — CID 20766241

IUPAC2-[(5-chlorothiophen-2-yl)methyl]-2-propan-2-yl-1,3-dihydroindole
SMILESCC(C)C1(Cc2ccc(Cl)s2)Cc2ccccc2N1
InChIInChI=1S/C16H18ClNS/c1-11(2)16(10-13-7-8-15(17)19-13)9-12-5-3-4-6-14(12)18-16/h3-8,11,18H,9-10H2,1-2H3
InChIKeyADGAELPAQQTQSJ-UHFFFAOYSA-N
MW291.85 g/mol
LogP5.01
Rot. Bonds3

About 2-[(5-chlorothiophen-2-yl)methyl]-2-propan-2-yl-1,3-dihydroindole

2-[(5-chlorothiophen-2-yl)methyl]-2-propan-2-yl-1,3-dihydroindole (PubChem CID 20766241) has the molecular formula C16H18ClNS and a molecular weight of 291.85 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methyl]-2-propan-2-yl-1,3-dihydroindole.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methyl]-2-propan-2-yl-1,3-dihydroindole
PubChem CID20766241
Molecular FormulaC16H18ClNS
Molecular Weight291.85 g/mol
Exact Mass291.08
IUPAC Name2-[(5-chlorothiophen-2-yl)methyl]-2-propan-2-yl-1,3-dihydroindole
SMILESCC(C)C1(Cc2ccc(Cl)s2)Cc2ccccc2N1
InChIInChI=1S/C16H18ClNS/c1-11(2)16(10-13-7-8-15(17)19-13)9-12-5-3-4-6-14(12)18-16/h3-8,11,18H,9-10H2,1-2H3
InChIKeyADGAELPAQQTQSJ-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.85
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl]-2-propan-2-yl-1,3-dihydroindole?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl]-2-propan-2-yl-1,3-dihydroindole (CID 20766241) is 2-[(5-chlorothiophen-2-yl)methyl]-2-propan-2-yl-1,3-dihydroindole.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methyl]-2-propan-2-yl-1,3-dihydroindole?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methyl]-2-propan-2-yl-1,3-dihydroindole is CC(C)C1(Cc2ccc(Cl)s2)Cc2ccccc2N1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methyl]-2-propan-2-yl-1,3-dihydroindole?
The InChIKey is ADGAELPAQQTQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNS/c1-11(2)16(10-13-7-8-15(17)19-13)9-12-5-3-4-6-14(12)18-16/h3-8,11,18H,9-10H2,1-2H3.
What are the key properties of 2-[(5-chlorothiophen-2-yl)methyl]-2-propan-2-yl-1,3-dihydroindole?
2-[(5-chlorothiophen-2-yl)methyl]-2-propan-2-yl-1,3-dihydroindole has a molecular weight of 291.85 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methyl]-2-propan-2-yl-1,3-dihydroindole is sourced from PubChem (CID 20766241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).