2-butyl-2-[(2-butylindol-2-yl)methyl]indole

C25H30N2 — CID 54441339

IUPAC2-butyl-2-[(2-butylindol-2-yl)methyl]indole
SMILESCCCCC1(CC2(CCCC)C=c3ccccc3=N2)C=c2ccccc2=N1
InChIInChI=1S/C25H30N2/c1-3-5-15-24(17-20-11-7-9-13-22(20)26-24)19-25(16-6-4-2)18-21-12-8-10-14-23(21)27-25/h7-14,17-18H,3-6,15-16,19H2,1-2H3
InChIKeyWOHZOWOYQWDVRH-UHFFFAOYSA-N
MW358.53 g/mol
LogP3.46
Rot. Bonds8

About 2-butyl-2-[(2-butylindol-2-yl)methyl]indole

2-butyl-2-[(2-butylindol-2-yl)methyl]indole (PubChem CID 54441339) has the molecular formula C25H30N2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 2-butyl-2-[(2-butylindol-2-yl)methyl]indole.

Molecular Properties

Compound Name2-butyl-2-[(2-butylindol-2-yl)methyl]indole
PubChem CID54441339
Molecular FormulaC25H30N2
Molecular Weight358.53 g/mol
Exact Mass358.24
IUPAC Name2-butyl-2-[(2-butylindol-2-yl)methyl]indole
SMILESCCCCC1(CC2(CCCC)C=c3ccccc3=N2)C=c2ccccc2=N1
InChIInChI=1S/C25H30N2/c1-3-5-15-24(17-20-11-7-9-13-22(20)26-24)19-25(16-6-4-2)18-21-12-8-10-14-23(21)27-25/h7-14,17-18H,3-6,15-16,19H2,1-2H3
InChIKeyWOHZOWOYQWDVRH-UHFFFAOYSA-N
XLogP3.46
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-2-[(2-butylindol-2-yl)methyl]indole?
The IUPAC name of 2-butyl-2-[(2-butylindol-2-yl)methyl]indole (CID 54441339) is 2-butyl-2-[(2-butylindol-2-yl)methyl]indole.
What is the SMILES notation for 2-butyl-2-[(2-butylindol-2-yl)methyl]indole?
The canonical SMILES for 2-butyl-2-[(2-butylindol-2-yl)methyl]indole is CCCCC1(CC2(CCCC)C=c3ccccc3=N2)C=c2ccccc2=N1.
What is the InChIKey of 2-butyl-2-[(2-butylindol-2-yl)methyl]indole?
The InChIKey is WOHZOWOYQWDVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2/c1-3-5-15-24(17-20-11-7-9-13-22(20)26-24)19-25(16-6-4-2)18-21-12-8-10-14-23(21)27-25/h7-14,17-18H,3-6,15-16,19H2,1-2H3.
What are the key properties of 2-butyl-2-[(2-butylindol-2-yl)methyl]indole?
2-butyl-2-[(2-butylindol-2-yl)methyl]indole has a molecular weight of 358.53 g/mol, XLogP of 3.46, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-[(2-butylindol-2-yl)methyl]indole is sourced from PubChem (CID 54441339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).