5-[4-(pyridin-4-ylmethyl)phenyl]-1H-indole

C20H16N2 — CID 46901927

IUPAC5-[4-(pyridin-4-ylmethyl)phenyl]-1H-indole
SMILESc1cc(Cc2ccc(-c3ccc4[nH]ccc4c3)cc2)ccn1
InChIInChI=1S/C20H16N2/c1-3-17(18-5-6-20-19(14-18)9-12-22-20)4-2-15(1)13-16-7-10-21-11-8-16/h1-12,14,22H,13H2
InChIKeyVVBPUVXDCLUNKF-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.82
Rot. Bonds3

About 5-[4-(pyridin-4-ylmethyl)phenyl]-1H-indole

5-[4-(pyridin-4-ylmethyl)phenyl]-1H-indole (PubChem CID 46901927) has the molecular formula C20H16N2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-[4-(pyridin-4-ylmethyl)phenyl]-1H-indole.

Molecular Properties

Compound Name5-[4-(pyridin-4-ylmethyl)phenyl]-1H-indole
PubChem CID46901927
Molecular FormulaC20H16N2
Molecular Weight284.36 g/mol
Exact Mass284.13
IUPAC Name5-[4-(pyridin-4-ylmethyl)phenyl]-1H-indole
SMILESc1cc(Cc2ccc(-c3ccc4[nH]ccc4c3)cc2)ccn1
InChIInChI=1S/C20H16N2/c1-3-17(18-5-6-20-19(14-18)9-12-22-20)4-2-15(1)13-16-7-10-21-11-8-16/h1-12,14,22H,13H2
InChIKeyVVBPUVXDCLUNKF-UHFFFAOYSA-N
XLogP4.82
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(pyridin-4-ylmethyl)phenyl]-1H-indole?
The IUPAC name of 5-[4-(pyridin-4-ylmethyl)phenyl]-1H-indole (CID 46901927) is 5-[4-(pyridin-4-ylmethyl)phenyl]-1H-indole.
What is the SMILES notation for 5-[4-(pyridin-4-ylmethyl)phenyl]-1H-indole?
The canonical SMILES for 5-[4-(pyridin-4-ylmethyl)phenyl]-1H-indole is c1cc(Cc2ccc(-c3ccc4[nH]ccc4c3)cc2)ccn1.
What is the InChIKey of 5-[4-(pyridin-4-ylmethyl)phenyl]-1H-indole?
The InChIKey is VVBPUVXDCLUNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2/c1-3-17(18-5-6-20-19(14-18)9-12-22-20)4-2-15(1)13-16-7-10-21-11-8-16/h1-12,14,22H,13H2.
What are the key properties of 5-[4-(pyridin-4-ylmethyl)phenyl]-1H-indole?
5-[4-(pyridin-4-ylmethyl)phenyl]-1H-indole has a molecular weight of 284.36 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(pyridin-4-ylmethyl)phenyl]-1H-indole is sourced from PubChem (CID 46901927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).