2-(1-propan-2-ylindol-5-yl)-6-propylisoindol-1-ol

C22H24N2O — CID 90693809

IUPAC2-(1-propan-2-ylindol-5-yl)-6-propylisoindol-1-ol
SMILESCCCc1ccc2cn(-c3ccc4c(ccn4C(C)C)c3)c(O)c2c1
InChIInChI=1S/C22H24N2O/c1-4-5-16-6-7-18-14-24(22(25)20(18)12-16)19-8-9-21-17(13-19)10-11-23(21)15(2)3/h6-15,25H,4-5H2,1-3H3
InChIKeyZQCABFBVTFZRFP-UHFFFAOYSA-N
MW332.45 g/mol
LogP5.82
Rot. Bonds4

About 2-(1-propan-2-ylindol-5-yl)-6-propylisoindol-1-ol

2-(1-propan-2-ylindol-5-yl)-6-propylisoindol-1-ol (PubChem CID 90693809) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-(1-propan-2-ylindol-5-yl)-6-propylisoindol-1-ol.

Molecular Properties

Compound Name2-(1-propan-2-ylindol-5-yl)-6-propylisoindol-1-ol
PubChem CID90693809
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name2-(1-propan-2-ylindol-5-yl)-6-propylisoindol-1-ol
SMILESCCCc1ccc2cn(-c3ccc4c(ccn4C(C)C)c3)c(O)c2c1
InChIInChI=1S/C22H24N2O/c1-4-5-16-6-7-18-14-24(22(25)20(18)12-16)19-8-9-21-17(13-19)10-11-23(21)15(2)3/h6-15,25H,4-5H2,1-3H3
InChIKeyZQCABFBVTFZRFP-UHFFFAOYSA-N
XLogP5.82
TPSA30.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-propan-2-ylindol-5-yl)-6-propylisoindol-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

2-(1,2-dimethylindol-5-yl)-6-ethylisoindol-1-ol
CID 91249384
2-methyl-1-(1-propan-2-ylindol-5-yl)propan-2-ol
CID 115114963
6-methoxy-2-(1-propylindol-6-yl)isoindol-1-ol
CID 90912330
5,6-dimethoxy-2-(1-methylindol-5-yl)isoindol-1-ol
CID 90702021
5-butan-2-yl-1-propan-2-ylindole
CID 135200251
1-(1-propan-2-ylindol-5-yl)imidazole-4-carboxylic acid
CID 141291233
2-(1-benzothiophen-5-yl)-6-propoxyisoindol-1-ol
CID 91034080
3,15-dimethyl-7,19-dipropyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene
CID 70938449
5-iodo-1-propan-2-ylindole
CID 135396038
9-(4-methoxyphenyl)-3,6-dipropylcarbazole
CID 154963806
3-chloro-1-(4-fluorophenyl)-5-propylindole
CID 91084496
5,6-difluoro-1-propan-2-ylindole
CID 90162254

Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylindol-5-yl)-6-propylisoindol-1-ol?
The IUPAC name of 2-(1-propan-2-ylindol-5-yl)-6-propylisoindol-1-ol (CID 90693809) is 2-(1-propan-2-ylindol-5-yl)-6-propylisoindol-1-ol.
What is the SMILES notation for 2-(1-propan-2-ylindol-5-yl)-6-propylisoindol-1-ol?
The canonical SMILES for 2-(1-propan-2-ylindol-5-yl)-6-propylisoindol-1-ol is CCCc1ccc2cn(-c3ccc4c(ccn4C(C)C)c3)c(O)c2c1.
What is the InChIKey of 2-(1-propan-2-ylindol-5-yl)-6-propylisoindol-1-ol?
The InChIKey is ZQCABFBVTFZRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-4-5-16-6-7-18-14-24(22(25)20(18)12-16)19-8-9-21-17(13-19)10-11-23(21)15(2)3/h6-15,25H,4-5H2,1-3H3.
What are the key properties of 2-(1-propan-2-ylindol-5-yl)-6-propylisoindol-1-ol?
2-(1-propan-2-ylindol-5-yl)-6-propylisoindol-1-ol has a molecular weight of 332.45 g/mol, XLogP of 5.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylindol-5-yl)-6-propylisoindol-1-ol is sourced from PubChem (CID 90693809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).