5-chloro-6-(3-methyl-2H-pyrrol-5-yl)-2-propan-2-yl-1H-indole

C16H17ClN2 — CID 176926004

IUPAC5-chloro-6-(3-methyl-2H-pyrrol-5-yl)-2-propan-2-yl-1H-indole
SMILESCC1=CC(c2cc3[nH]c(C(C)C)cc3cc2Cl)=NC1
InChIInChI=1S/C16H17ClN2/c1-9(2)14-6-11-5-13(17)12(7-15(11)19-14)16-4-10(3)8-18-16/h4-7,9,19H,8H2,1-3H3
InChIKeyLWPITDHZRDYONH-UHFFFAOYSA-N
MW272.78 g/mol
LogP4.69
Rot. Bonds2

About 5-chloro-6-(3-methyl-2H-pyrrol-5-yl)-2-propan-2-yl-1H-indole

5-chloro-6-(3-methyl-2H-pyrrol-5-yl)-2-propan-2-yl-1H-indole (PubChem CID 176926004) has the molecular formula C16H17ClN2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 5-chloro-6-(3-methyl-2H-pyrrol-5-yl)-2-propan-2-yl-1H-indole.

Molecular Properties

Compound Name5-chloro-6-(3-methyl-2H-pyrrol-5-yl)-2-propan-2-yl-1H-indole
PubChem CID176926004
Molecular FormulaC16H17ClN2
Molecular Weight272.78 g/mol
Exact Mass272.11
IUPAC Name5-chloro-6-(3-methyl-2H-pyrrol-5-yl)-2-propan-2-yl-1H-indole
SMILESCC1=CC(c2cc3[nH]c(C(C)C)cc3cc2Cl)=NC1
InChIInChI=1S/C16H17ClN2/c1-9(2)14-6-11-5-13(17)12(7-15(11)19-14)16-4-10(3)8-18-16/h4-7,9,19H,8H2,1-3H3
InChIKeyLWPITDHZRDYONH-UHFFFAOYSA-N
XLogP4.69
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(3-methyl-2H-pyrrol-5-yl)-2-propan-2-yl-1H-indole?
The IUPAC name of 5-chloro-6-(3-methyl-2H-pyrrol-5-yl)-2-propan-2-yl-1H-indole (CID 176926004) is 5-chloro-6-(3-methyl-2H-pyrrol-5-yl)-2-propan-2-yl-1H-indole.
What is the SMILES notation for 5-chloro-6-(3-methyl-2H-pyrrol-5-yl)-2-propan-2-yl-1H-indole?
The canonical SMILES for 5-chloro-6-(3-methyl-2H-pyrrol-5-yl)-2-propan-2-yl-1H-indole is CC1=CC(c2cc3[nH]c(C(C)C)cc3cc2Cl)=NC1.
What is the InChIKey of 5-chloro-6-(3-methyl-2H-pyrrol-5-yl)-2-propan-2-yl-1H-indole?
The InChIKey is LWPITDHZRDYONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2/c1-9(2)14-6-11-5-13(17)12(7-15(11)19-14)16-4-10(3)8-18-16/h4-7,9,19H,8H2,1-3H3.
What are the key properties of 5-chloro-6-(3-methyl-2H-pyrrol-5-yl)-2-propan-2-yl-1H-indole?
5-chloro-6-(3-methyl-2H-pyrrol-5-yl)-2-propan-2-yl-1H-indole has a molecular weight of 272.78 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(3-methyl-2H-pyrrol-5-yl)-2-propan-2-yl-1H-indole is sourced from PubChem (CID 176926004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).