2-propyl-2-[(2-propylindol-2-yl)methyl]indole

C23H26N2 — CID 54141309

IUPAC2-propyl-2-[(2-propylindol-2-yl)methyl]indole
SMILESCCCC1(CC2(CCC)C=c3ccccc3=N2)C=c2ccccc2=N1
InChIInChI=1S/C23H26N2/c1-3-13-22(15-18-9-5-7-11-20(18)24-22)17-23(14-4-2)16-19-10-6-8-12-21(19)25-23/h5-12,15-16H,3-4,13-14,17H2,1-2H3
InChIKeyOBHKPFCCLUHHPV-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.68
Rot. Bonds6

About 2-propyl-2-[(2-propylindol-2-yl)methyl]indole

2-propyl-2-[(2-propylindol-2-yl)methyl]indole (PubChem CID 54141309) has the molecular formula C23H26N2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 2-propyl-2-[(2-propylindol-2-yl)methyl]indole.

Molecular Properties

Compound Name2-propyl-2-[(2-propylindol-2-yl)methyl]indole
PubChem CID54141309
Molecular FormulaC23H26N2
Molecular Weight330.47 g/mol
Exact Mass330.21
IUPAC Name2-propyl-2-[(2-propylindol-2-yl)methyl]indole
SMILESCCCC1(CC2(CCC)C=c3ccccc3=N2)C=c2ccccc2=N1
InChIInChI=1S/C23H26N2/c1-3-13-22(15-18-9-5-7-11-20(18)24-22)17-23(14-4-2)16-19-10-6-8-12-21(19)25-23/h5-12,15-16H,3-4,13-14,17H2,1-2H3
InChIKeyOBHKPFCCLUHHPV-UHFFFAOYSA-N
XLogP2.68
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 126658051
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CID 126695780
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CID 143504662
CID 143504662

Frequently Asked Questions

What is the IUPAC name of 2-propyl-2-[(2-propylindol-2-yl)methyl]indole?
The IUPAC name of 2-propyl-2-[(2-propylindol-2-yl)methyl]indole (CID 54141309) is 2-propyl-2-[(2-propylindol-2-yl)methyl]indole.
What is the SMILES notation for 2-propyl-2-[(2-propylindol-2-yl)methyl]indole?
The canonical SMILES for 2-propyl-2-[(2-propylindol-2-yl)methyl]indole is CCCC1(CC2(CCC)C=c3ccccc3=N2)C=c2ccccc2=N1.
What is the InChIKey of 2-propyl-2-[(2-propylindol-2-yl)methyl]indole?
The InChIKey is OBHKPFCCLUHHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2/c1-3-13-22(15-18-9-5-7-11-20(18)24-22)17-23(14-4-2)16-19-10-6-8-12-21(19)25-23/h5-12,15-16H,3-4,13-14,17H2,1-2H3.
What are the key properties of 2-propyl-2-[(2-propylindol-2-yl)methyl]indole?
2-propyl-2-[(2-propylindol-2-yl)methyl]indole has a molecular weight of 330.47 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-2-[(2-propylindol-2-yl)methyl]indole is sourced from PubChem (CID 54141309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).