5-chloro-3-[5-(5-chloro-1-methylindol-3-yl)-1H-pyrrol-2-yl]-1-methylindole

C22H17Cl2N3 — CID 45028129

IUPAC5-chloro-3-[5-(5-chloro-1-methylindol-3-yl)-1H-pyrrol-2-yl]-1-methylindole
SMILESCn1cc(-c2ccc(-c3cn(C)c4ccc(Cl)cc34)[nH]2)c2cc(Cl)ccc21
InChIInChI=1S/C22H17Cl2N3/c1-26-11-17(15-9-13(23)3-7-21(15)26)19-5-6-20(25-19)18-12-27(2)22-8-4-14(24)10-16(18)22/h3-12,25H,1-2H3
InChIKeyNCGZRQCAVPMZRF-UHFFFAOYSA-N
MW394.31 g/mol
LogP6.64
Rot. Bonds2

About 5-chloro-3-[5-(5-chloro-1-methylindol-3-yl)-1H-pyrrol-2-yl]-1-methylindole

5-chloro-3-[5-(5-chloro-1-methylindol-3-yl)-1H-pyrrol-2-yl]-1-methylindole (PubChem CID 45028129) has the molecular formula C22H17Cl2N3 and a molecular weight of 394.31 g/mol. Its IUPAC name is 5-chloro-3-[5-(5-chloro-1-methylindol-3-yl)-1H-pyrrol-2-yl]-1-methylindole.

Molecular Properties

Compound Name5-chloro-3-[5-(5-chloro-1-methylindol-3-yl)-1H-pyrrol-2-yl]-1-methylindole
PubChem CID45028129
Molecular FormulaC22H17Cl2N3
Molecular Weight394.31 g/mol
Exact Mass393.08
IUPAC Name5-chloro-3-[5-(5-chloro-1-methylindol-3-yl)-1H-pyrrol-2-yl]-1-methylindole
SMILESCn1cc(-c2ccc(-c3cn(C)c4ccc(Cl)cc34)[nH]2)c2cc(Cl)ccc21
InChIInChI=1S/C22H17Cl2N3/c1-26-11-17(15-9-13(23)3-7-21(15)26)19-5-6-20(25-19)18-12-27(2)22-8-4-14(24)10-16(18)22/h3-12,25H,1-2H3
InChIKeyNCGZRQCAVPMZRF-UHFFFAOYSA-N
XLogP6.64
TPSA25.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.31
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[5-(5-chloro-1-methylindol-3-yl)-1H-pyrrol-2-yl]-1-methylindole?
The IUPAC name of 5-chloro-3-[5-(5-chloro-1-methylindol-3-yl)-1H-pyrrol-2-yl]-1-methylindole (CID 45028129) is 5-chloro-3-[5-(5-chloro-1-methylindol-3-yl)-1H-pyrrol-2-yl]-1-methylindole.
What is the SMILES notation for 5-chloro-3-[5-(5-chloro-1-methylindol-3-yl)-1H-pyrrol-2-yl]-1-methylindole?
The canonical SMILES for 5-chloro-3-[5-(5-chloro-1-methylindol-3-yl)-1H-pyrrol-2-yl]-1-methylindole is Cn1cc(-c2ccc(-c3cn(C)c4ccc(Cl)cc34)[nH]2)c2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-3-[5-(5-chloro-1-methylindol-3-yl)-1H-pyrrol-2-yl]-1-methylindole?
The InChIKey is NCGZRQCAVPMZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N3/c1-26-11-17(15-9-13(23)3-7-21(15)26)19-5-6-20(25-19)18-12-27(2)22-8-4-14(24)10-16(18)22/h3-12,25H,1-2H3.
What are the key properties of 5-chloro-3-[5-(5-chloro-1-methylindol-3-yl)-1H-pyrrol-2-yl]-1-methylindole?
5-chloro-3-[5-(5-chloro-1-methylindol-3-yl)-1H-pyrrol-2-yl]-1-methylindole has a molecular weight of 394.31 g/mol, XLogP of 6.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[5-(5-chloro-1-methylindol-3-yl)-1H-pyrrol-2-yl]-1-methylindole is sourced from PubChem (CID 45028129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).