4-methyl-3-[(4-methyl-1H-indol-3-yl)methyl]-1H-indole

C19H18N2 — CID 102219032

IUPAC4-methyl-3-[(4-methyl-1H-indol-3-yl)methyl]-1H-indole
SMILESCc1cccc2[nH]cc(Cc3c[nH]c4cccc(C)c34)c12
InChIInChI=1S/C19H18N2/c1-12-5-3-7-16-18(12)14(10-20-16)9-15-11-21-17-8-4-6-13(2)19(15)17/h3-8,10-11,20-21H,9H2,1-2H3
InChIKeyZMLDLAMPOYRLHT-UHFFFAOYSA-N
MW274.37 g/mol
LogP4.86
Rot. Bonds2

About 4-methyl-3-[(4-methyl-1H-indol-3-yl)methyl]-1H-indole

4-methyl-3-[(4-methyl-1H-indol-3-yl)methyl]-1H-indole (PubChem CID 102219032) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-methyl-3-[(4-methyl-1H-indol-3-yl)methyl]-1H-indole.

Molecular Properties

Compound Name4-methyl-3-[(4-methyl-1H-indol-3-yl)methyl]-1H-indole
PubChem CID102219032
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC Name4-methyl-3-[(4-methyl-1H-indol-3-yl)methyl]-1H-indole
SMILESCc1cccc2[nH]cc(Cc3c[nH]c4cccc(C)c34)c12
InChIInChI=1S/C19H18N2/c1-12-5-3-7-16-18(12)14(10-20-16)9-15-11-21-17-8-4-6-13(2)19(15)17/h3-8,10-11,20-21H,9H2,1-2H3
InChIKeyZMLDLAMPOYRLHT-UHFFFAOYSA-N
XLogP4.86
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(4-methyl-1H-indol-3-yl)methyl]-1H-indole?
The IUPAC name of 4-methyl-3-[(4-methyl-1H-indol-3-yl)methyl]-1H-indole (CID 102219032) is 4-methyl-3-[(4-methyl-1H-indol-3-yl)methyl]-1H-indole.
What is the SMILES notation for 4-methyl-3-[(4-methyl-1H-indol-3-yl)methyl]-1H-indole?
The canonical SMILES for 4-methyl-3-[(4-methyl-1H-indol-3-yl)methyl]-1H-indole is Cc1cccc2[nH]cc(Cc3c[nH]c4cccc(C)c34)c12.
What is the InChIKey of 4-methyl-3-[(4-methyl-1H-indol-3-yl)methyl]-1H-indole?
The InChIKey is ZMLDLAMPOYRLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2/c1-12-5-3-7-16-18(12)14(10-20-16)9-15-11-21-17-8-4-6-13(2)19(15)17/h3-8,10-11,20-21H,9H2,1-2H3.
What are the key properties of 4-methyl-3-[(4-methyl-1H-indol-3-yl)methyl]-1H-indole?
4-methyl-3-[(4-methyl-1H-indol-3-yl)methyl]-1H-indole has a molecular weight of 274.37 g/mol, XLogP of 4.86, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(4-methyl-1H-indol-3-yl)methyl]-1H-indole is sourced from PubChem (CID 102219032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).