5-chloro-6-(3-methylidene-1H-isoindol-2-yl)-2-propan-2-yl-1H-indole;ethane

C22H25ClN2 — CID 176926025

IUPAC5-chloro-6-(3-methylidene-1H-isoindol-2-yl)-2-propan-2-yl-1H-indole;ethane
SMILESC=C1c2ccccc2CN1c1cc2[nH]c(C(C)C)cc2cc1Cl.CC
InChIInChI=1S/C20H19ClN2.C2H6/c1-12(2)18-9-15-8-17(21)20(10-19(15)22-18)23-11-14-6-4-5-7-16(14)13(23)3;1-2/h4-10,12,22H,3,11H2,1-2H3;1-2H3
InChIKeyRCCOUXPCBQHFNX-UHFFFAOYSA-N
MW352.91 g/mol
LogP6.96
Rot. Bonds2

About 5-chloro-6-(3-methylidene-1H-isoindol-2-yl)-2-propan-2-yl-1H-indole;ethane

5-chloro-6-(3-methylidene-1H-isoindol-2-yl)-2-propan-2-yl-1H-indole;ethane (PubChem CID 176926025) has the molecular formula C22H25ClN2 and a molecular weight of 352.91 g/mol. Its IUPAC name is 5-chloro-6-(3-methylidene-1H-isoindol-2-yl)-2-propan-2-yl-1H-indole;ethane.

Molecular Properties

Compound Name5-chloro-6-(3-methylidene-1H-isoindol-2-yl)-2-propan-2-yl-1H-indole;ethane
PubChem CID176926025
Molecular FormulaC22H25ClN2
Molecular Weight352.91 g/mol
Exact Mass352.17
IUPAC Name5-chloro-6-(3-methylidene-1H-isoindol-2-yl)-2-propan-2-yl-1H-indole;ethane
SMILESC=C1c2ccccc2CN1c1cc2[nH]c(C(C)C)cc2cc1Cl.CC
InChIInChI=1S/C20H19ClN2.C2H6/c1-12(2)18-9-15-8-17(21)20(10-19(15)22-18)23-11-14-6-4-5-7-16(14)13(23)3;1-2/h4-10,12,22H,3,11H2,1-2H3;1-2H3
InChIKeyRCCOUXPCBQHFNX-UHFFFAOYSA-N
XLogP6.96
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.91
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-chloro-6-(3-methylidene-1H-isoindol-2-yl)-2-propan-2-yl-1H-indole;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(3-methylidene-1H-isoindol-2-yl)-2-propan-2-yl-1H-indole;ethane?
The IUPAC name of 5-chloro-6-(3-methylidene-1H-isoindol-2-yl)-2-propan-2-yl-1H-indole;ethane (CID 176926025) is 5-chloro-6-(3-methylidene-1H-isoindol-2-yl)-2-propan-2-yl-1H-indole;ethane.
What is the SMILES notation for 5-chloro-6-(3-methylidene-1H-isoindol-2-yl)-2-propan-2-yl-1H-indole;ethane?
The canonical SMILES for 5-chloro-6-(3-methylidene-1H-isoindol-2-yl)-2-propan-2-yl-1H-indole;ethane is C=C1c2ccccc2CN1c1cc2[nH]c(C(C)C)cc2cc1Cl.CC.
What is the InChIKey of 5-chloro-6-(3-methylidene-1H-isoindol-2-yl)-2-propan-2-yl-1H-indole;ethane?
The InChIKey is RCCOUXPCBQHFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2.C2H6/c1-12(2)18-9-15-8-17(21)20(10-19(15)22-18)23-11-14-6-4-5-7-16(14)13(23)3;1-2/h4-10,12,22H,3,11H2,1-2H3;1-2H3.
What are the key properties of 5-chloro-6-(3-methylidene-1H-isoindol-2-yl)-2-propan-2-yl-1H-indole;ethane?
5-chloro-6-(3-methylidene-1H-isoindol-2-yl)-2-propan-2-yl-1H-indole;ethane has a molecular weight of 352.91 g/mol, XLogP of 6.96, 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-methylidene-1H-isoindol-2-yl)-2-propan-2-yl-1H-indole;ethane is sourced from PubChem (CID 176926025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).