1-[(5-chloro-1-benzothiophen-3-yl)methyl]-2-methyl-2,3-dihydroindole

C18H16ClNS — CID 141125701

IUPAC1-[(5-chloro-1-benzothiophen-3-yl)methyl]-2-methyl-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1Cc1csc2ccc(Cl)cc12
InChIInChI=1S/C18H16ClNS/c1-12-8-13-4-2-3-5-17(13)20(12)10-14-11-21-18-7-6-15(19)9-16(14)18/h2-7,9,11-12H,8,10H2,1H3
InChIKeySAGVZDJJFWFIBU-UHFFFAOYSA-N
MW313.85 g/mol
LogP5.51
Rot. Bonds2

About 1-[(5-chloro-1-benzothiophen-3-yl)methyl]-2-methyl-2,3-dihydroindole

1-[(5-chloro-1-benzothiophen-3-yl)methyl]-2-methyl-2,3-dihydroindole (PubChem CID 141125701) has the molecular formula C18H16ClNS and a molecular weight of 313.85 g/mol. Its IUPAC name is 1-[(5-chloro-1-benzothiophen-3-yl)methyl]-2-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-[(5-chloro-1-benzothiophen-3-yl)methyl]-2-methyl-2,3-dihydroindole
PubChem CID141125701
Molecular FormulaC18H16ClNS
Molecular Weight313.85 g/mol
Exact Mass313.07
IUPAC Name1-[(5-chloro-1-benzothiophen-3-yl)methyl]-2-methyl-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1Cc1csc2ccc(Cl)cc12
InChIInChI=1S/C18H16ClNS/c1-12-8-13-4-2-3-5-17(13)20(12)10-14-11-21-18-7-6-15(19)9-16(14)18/h2-7,9,11-12H,8,10H2,1H3
InChIKeySAGVZDJJFWFIBU-UHFFFAOYSA-N
XLogP5.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.85
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1-benzothiophen-3-yl)methyl]-2-methyl-2,3-dihydroindole?
The IUPAC name of 1-[(5-chloro-1-benzothiophen-3-yl)methyl]-2-methyl-2,3-dihydroindole (CID 141125701) is 1-[(5-chloro-1-benzothiophen-3-yl)methyl]-2-methyl-2,3-dihydroindole.
What is the SMILES notation for 1-[(5-chloro-1-benzothiophen-3-yl)methyl]-2-methyl-2,3-dihydroindole?
The canonical SMILES for 1-[(5-chloro-1-benzothiophen-3-yl)methyl]-2-methyl-2,3-dihydroindole is CC1Cc2ccccc2N1Cc1csc2ccc(Cl)cc12.
What is the InChIKey of 1-[(5-chloro-1-benzothiophen-3-yl)methyl]-2-methyl-2,3-dihydroindole?
The InChIKey is SAGVZDJJFWFIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNS/c1-12-8-13-4-2-3-5-17(13)20(12)10-14-11-21-18-7-6-15(19)9-16(14)18/h2-7,9,11-12H,8,10H2,1H3.
What are the key properties of 1-[(5-chloro-1-benzothiophen-3-yl)methyl]-2-methyl-2,3-dihydroindole?
1-[(5-chloro-1-benzothiophen-3-yl)methyl]-2-methyl-2,3-dihydroindole has a molecular weight of 313.85 g/mol, XLogP of 5.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-1-benzothiophen-3-yl)methyl]-2-methyl-2,3-dihydroindole is sourced from PubChem (CID 141125701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).