5-chloro-3-(1H-indol-2-ylmethyl)-1H-indole

C17H13ClN2 — CID 118709594

IUPAC5-chloro-3-(1H-indol-2-ylmethyl)-1H-indole
SMILESClc1ccc2[nH]cc(Cc3cc4ccccc4[nH]3)c2c1
InChIInChI=1S/C17H13ClN2/c18-13-5-6-17-15(9-13)12(10-19-17)8-14-7-11-3-1-2-4-16(11)20-14/h1-7,9-10,19-20H,8H2
InChIKeyOSTIXKKSSZMBPY-UHFFFAOYSA-N
MW280.76 g/mol
LogP4.89
Rot. Bonds2

About 5-chloro-3-(1H-indol-2-ylmethyl)-1H-indole

5-chloro-3-(1H-indol-2-ylmethyl)-1H-indole (PubChem CID 118709594) has the molecular formula C17H13ClN2 and a molecular weight of 280.76 g/mol. Its IUPAC name is 5-chloro-3-(1H-indol-2-ylmethyl)-1H-indole.

Molecular Properties

Compound Name5-chloro-3-(1H-indol-2-ylmethyl)-1H-indole
PubChem CID118709594
Molecular FormulaC17H13ClN2
Molecular Weight280.76 g/mol
Exact Mass280.08
IUPAC Name5-chloro-3-(1H-indol-2-ylmethyl)-1H-indole
SMILESClc1ccc2[nH]cc(Cc3cc4ccccc4[nH]3)c2c1
InChIInChI=1S/C17H13ClN2/c18-13-5-6-17-15(9-13)12(10-19-17)8-14-7-11-3-1-2-4-16(11)20-14/h1-7,9-10,19-20H,8H2
InChIKeyOSTIXKKSSZMBPY-UHFFFAOYSA-N
XLogP4.89
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(1H-indol-2-ylmethyl)-1H-indole?
The IUPAC name of 5-chloro-3-(1H-indol-2-ylmethyl)-1H-indole (CID 118709594) is 5-chloro-3-(1H-indol-2-ylmethyl)-1H-indole.
What is the SMILES notation for 5-chloro-3-(1H-indol-2-ylmethyl)-1H-indole?
The canonical SMILES for 5-chloro-3-(1H-indol-2-ylmethyl)-1H-indole is Clc1ccc2[nH]cc(Cc3cc4ccccc4[nH]3)c2c1.
What is the InChIKey of 5-chloro-3-(1H-indol-2-ylmethyl)-1H-indole?
The InChIKey is OSTIXKKSSZMBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2/c18-13-5-6-17-15(9-13)12(10-19-17)8-14-7-11-3-1-2-4-16(11)20-14/h1-7,9-10,19-20H,8H2.
What are the key properties of 5-chloro-3-(1H-indol-2-ylmethyl)-1H-indole?
5-chloro-3-(1H-indol-2-ylmethyl)-1H-indole has a molecular weight of 280.76 g/mol, XLogP of 4.89, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(1H-indol-2-ylmethyl)-1H-indole is sourced from PubChem (CID 118709594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).