6-chloro-3-[2-(1H-indol-3-yl)ethyl]-1H-indole

C18H15ClN2 — CID 118715859

IUPAC6-chloro-3-[2-(1H-indol-3-yl)ethyl]-1H-indole
SMILESClc1ccc2c(CCc3c[nH]c4ccccc34)c[nH]c2c1
InChIInChI=1S/C18H15ClN2/c19-14-7-8-16-13(11-21-18(16)9-14)6-5-12-10-20-17-4-2-1-3-15(12)17/h1-4,7-11,20-21H,5-6H2
InChIKeyWNMSPCFVYFSFBB-UHFFFAOYSA-N
MW294.79 g/mol
LogP5.09
Rot. Bonds3

About 6-chloro-3-[2-(1H-indol-3-yl)ethyl]-1H-indole

6-chloro-3-[2-(1H-indol-3-yl)ethyl]-1H-indole (PubChem CID 118715859) has the molecular formula C18H15ClN2 and a molecular weight of 294.79 g/mol. Its IUPAC name is 6-chloro-3-[2-(1H-indol-3-yl)ethyl]-1H-indole.

Molecular Properties

Compound Name6-chloro-3-[2-(1H-indol-3-yl)ethyl]-1H-indole
PubChem CID118715859
Molecular FormulaC18H15ClN2
Molecular Weight294.79 g/mol
Exact Mass294.09
IUPAC Name6-chloro-3-[2-(1H-indol-3-yl)ethyl]-1H-indole
SMILESClc1ccc2c(CCc3c[nH]c4ccccc34)c[nH]c2c1
InChIInChI=1S/C18H15ClN2/c19-14-7-8-16-13(11-21-18(16)9-14)6-5-12-10-20-17-4-2-1-3-15(12)17/h1-4,7-11,20-21H,5-6H2
InChIKeyWNMSPCFVYFSFBB-UHFFFAOYSA-N
XLogP5.09
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.79
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[2-(1H-indol-3-yl)ethyl]-1H-indole?
The IUPAC name of 6-chloro-3-[2-(1H-indol-3-yl)ethyl]-1H-indole (CID 118715859) is 6-chloro-3-[2-(1H-indol-3-yl)ethyl]-1H-indole.
What is the SMILES notation for 6-chloro-3-[2-(1H-indol-3-yl)ethyl]-1H-indole?
The canonical SMILES for 6-chloro-3-[2-(1H-indol-3-yl)ethyl]-1H-indole is Clc1ccc2c(CCc3c[nH]c4ccccc34)c[nH]c2c1.
What is the InChIKey of 6-chloro-3-[2-(1H-indol-3-yl)ethyl]-1H-indole?
The InChIKey is WNMSPCFVYFSFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2/c19-14-7-8-16-13(11-21-18(16)9-14)6-5-12-10-20-17-4-2-1-3-15(12)17/h1-4,7-11,20-21H,5-6H2.
What are the key properties of 6-chloro-3-[2-(1H-indol-3-yl)ethyl]-1H-indole?
6-chloro-3-[2-(1H-indol-3-yl)ethyl]-1H-indole has a molecular weight of 294.79 g/mol, XLogP of 5.09, 3 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[2-(1H-indol-3-yl)ethyl]-1H-indole is sourced from PubChem (CID 118715859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).