1-(1H-indol-3-ylmethyl)indole

C17H14N2 — CID 15949032

IUPAC1-(1H-indol-3-ylmethyl)indole
SMILESc1ccc2c(c1)ccn2Cc1c[nH]c2ccccc12
InChIInChI=1S/C17H14N2/c1-4-8-17-13(5-1)9-10-19(17)12-14-11-18-16-7-3-2-6-15(14)16/h1-11,18H,12H2
InChIKeyMKYDTPDGPZWNHV-UHFFFAOYSA-N
MW246.31 g/mol
LogP4.17
Rot. Bonds2

About 1-(1H-indol-3-ylmethyl)indole

1-(1H-indol-3-ylmethyl)indole (PubChem CID 15949032) has the molecular formula C17H14N2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(1H-indol-3-ylmethyl)indole.

Molecular Properties

Compound Name1-(1H-indol-3-ylmethyl)indole
PubChem CID15949032
Molecular FormulaC17H14N2
Molecular Weight246.31 g/mol
Exact Mass246.12
IUPAC Name1-(1H-indol-3-ylmethyl)indole
SMILESc1ccc2c(c1)ccn2Cc1c[nH]c2ccccc12
InChIInChI=1S/C17H14N2/c1-4-8-17-13(5-1)9-10-19(17)12-14-11-18-16-7-3-2-6-15(14)16/h1-11,18H,12H2
InChIKeyMKYDTPDGPZWNHV-UHFFFAOYSA-N
XLogP4.17
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(indol-1-ylmethyl)-3-methyl-1H-indole
CID 143531682
3-indol-1-yl-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide
CID 31830439
[1-(1H-indol-3-ylmethyl)indol-3-yl]methanol
CID 86183911
1-(1H-indol-3-ylmethyl)pyrimidine-2,4-dione
CID 4297693
(2S)-3-(1H-indol-3-yl)-2-(indol-1-ylamino)propanoic acid
CID 91134562
1-[(5-methyl-1H-indol-3-yl)methyl]indol-5-ol
CID 164522936
2-(1H-indol-3-ylmethyl)isoindole-1,3-dione
CID 12504745
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
CID 135044640
CID 135044640
2-(1H-indol-3-yl)ethane-1,1-diol
CID 21400411
3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738
1H-indol-3-ylmethanamine;hydrochloride
CID 52986033

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-ylmethyl)indole?
The IUPAC name of 1-(1H-indol-3-ylmethyl)indole (CID 15949032) is 1-(1H-indol-3-ylmethyl)indole.
What is the SMILES notation for 1-(1H-indol-3-ylmethyl)indole?
The canonical SMILES for 1-(1H-indol-3-ylmethyl)indole is c1ccc2c(c1)ccn2Cc1c[nH]c2ccccc12.
What is the InChIKey of 1-(1H-indol-3-ylmethyl)indole?
The InChIKey is MKYDTPDGPZWNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2/c1-4-8-17-13(5-1)9-10-19(17)12-14-11-18-16-7-3-2-6-15(14)16/h1-11,18H,12H2.
What are the key properties of 1-(1H-indol-3-ylmethyl)indole?
1-(1H-indol-3-ylmethyl)indole has a molecular weight of 246.31 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-ylmethyl)indole is sourced from PubChem (CID 15949032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).