5-chloro-3-[2-(5-chloro-1H-indol-3-yl)pyrimidin-5-yl]-1H-indole

C20H12Cl2N4 — CID 54579407

IUPAC5-chloro-3-[2-(5-chloro-1H-indol-3-yl)pyrimidin-5-yl]-1H-indole
SMILESClc1ccc2[nH]cc(-c3cnc(-c4c[nH]c5ccc(Cl)cc45)nc3)c2c1
InChIInChI=1S/C20H12Cl2N4/c21-12-1-3-18-14(5-12)16(9-23-18)11-7-25-20(26-8-11)17-10-24-19-4-2-13(22)6-15(17)19/h1-10,23-24H
InChIKeyZQFNWXPFCBPZEI-UHFFFAOYSA-N
MW379.25 g/mol
LogP6.08
Rot. Bonds2

About 5-chloro-3-[2-(5-chloro-1H-indol-3-yl)pyrimidin-5-yl]-1H-indole

5-chloro-3-[2-(5-chloro-1H-indol-3-yl)pyrimidin-5-yl]-1H-indole (PubChem CID 54579407) has the molecular formula C20H12Cl2N4 and a molecular weight of 379.25 g/mol. Its IUPAC name is 5-chloro-3-[2-(5-chloro-1H-indol-3-yl)pyrimidin-5-yl]-1H-indole.

Molecular Properties

Compound Name5-chloro-3-[2-(5-chloro-1H-indol-3-yl)pyrimidin-5-yl]-1H-indole
PubChem CID54579407
Molecular FormulaC20H12Cl2N4
Molecular Weight379.25 g/mol
Exact Mass378.04
IUPAC Name5-chloro-3-[2-(5-chloro-1H-indol-3-yl)pyrimidin-5-yl]-1H-indole
SMILESClc1ccc2[nH]cc(-c3cnc(-c4c[nH]c5ccc(Cl)cc45)nc3)c2c1
InChIInChI=1S/C20H12Cl2N4/c21-12-1-3-18-14(5-12)16(9-23-18)11-7-25-20(26-8-11)17-10-24-19-4-2-13(22)6-15(17)19/h1-10,23-24H
InChIKeyZQFNWXPFCBPZEI-UHFFFAOYSA-N
XLogP6.08
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.25
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[2-(5-chloro-1H-indol-3-yl)pyrimidin-5-yl]-1H-indole?
The IUPAC name of 5-chloro-3-[2-(5-chloro-1H-indol-3-yl)pyrimidin-5-yl]-1H-indole (CID 54579407) is 5-chloro-3-[2-(5-chloro-1H-indol-3-yl)pyrimidin-5-yl]-1H-indole.
What is the SMILES notation for 5-chloro-3-[2-(5-chloro-1H-indol-3-yl)pyrimidin-5-yl]-1H-indole?
The canonical SMILES for 5-chloro-3-[2-(5-chloro-1H-indol-3-yl)pyrimidin-5-yl]-1H-indole is Clc1ccc2[nH]cc(-c3cnc(-c4c[nH]c5ccc(Cl)cc45)nc3)c2c1.
What is the InChIKey of 5-chloro-3-[2-(5-chloro-1H-indol-3-yl)pyrimidin-5-yl]-1H-indole?
The InChIKey is ZQFNWXPFCBPZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2N4/c21-12-1-3-18-14(5-12)16(9-23-18)11-7-25-20(26-8-11)17-10-24-19-4-2-13(22)6-15(17)19/h1-10,23-24H.
What are the key properties of 5-chloro-3-[2-(5-chloro-1H-indol-3-yl)pyrimidin-5-yl]-1H-indole?
5-chloro-3-[2-(5-chloro-1H-indol-3-yl)pyrimidin-5-yl]-1H-indole has a molecular weight of 379.25 g/mol, XLogP of 6.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[2-(5-chloro-1H-indol-3-yl)pyrimidin-5-yl]-1H-indole is sourced from PubChem (CID 54579407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).