[2-methyl-3-[(2-methyl-1H-indol-4-yl)methyl]-1H-indol-4-yl]methanol

C20H20N2O — CID 638843

IUPAC[2-methyl-3-[(2-methyl-1H-indol-4-yl)methyl]-1H-indol-4-yl]methanol
SMILESCc1cc2c(Cc3c(C)[nH]c4cccc(CO)c34)cccc2[nH]1
InChIInChI=1S/C20H20N2O/c1-12-9-17-14(5-3-7-18(17)21-12)10-16-13(2)22-19-8-4-6-15(11-23)20(16)19/h3-9,21-23H,10-11H2,1-2H3
InChIKeyCMYNQPQCELERKL-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.35
Rot. Bonds3

About [2-methyl-3-[(2-methyl-1H-indol-4-yl)methyl]-1H-indol-4-yl]methanol

[2-methyl-3-[(2-methyl-1H-indol-4-yl)methyl]-1H-indol-4-yl]methanol (PubChem CID 638843) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is [2-methyl-3-[(2-methyl-1H-indol-4-yl)methyl]-1H-indol-4-yl]methanol.

Molecular Properties

Compound Name[2-methyl-3-[(2-methyl-1H-indol-4-yl)methyl]-1H-indol-4-yl]methanol
PubChem CID638843
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name[2-methyl-3-[(2-methyl-1H-indol-4-yl)methyl]-1H-indol-4-yl]methanol
SMILESCc1cc2c(Cc3c(C)[nH]c4cccc(CO)c34)cccc2[nH]1
InChIInChI=1S/C20H20N2O/c1-12-9-17-14(5-3-7-18(17)21-12)10-16-13(2)22-19-8-4-6-15(11-23)20(16)19/h3-9,21-23H,10-11H2,1-2H3
InChIKeyCMYNQPQCELERKL-UHFFFAOYSA-N
XLogP4.35
TPSA51.81 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-3-[(2-methyl-1H-indol-4-yl)methyl]-1H-indol-4-yl]methanol?
The IUPAC name of [2-methyl-3-[(2-methyl-1H-indol-4-yl)methyl]-1H-indol-4-yl]methanol (CID 638843) is [2-methyl-3-[(2-methyl-1H-indol-4-yl)methyl]-1H-indol-4-yl]methanol.
What is the SMILES notation for [2-methyl-3-[(2-methyl-1H-indol-4-yl)methyl]-1H-indol-4-yl]methanol?
The canonical SMILES for [2-methyl-3-[(2-methyl-1H-indol-4-yl)methyl]-1H-indol-4-yl]methanol is Cc1cc2c(Cc3c(C)[nH]c4cccc(CO)c34)cccc2[nH]1.
What is the InChIKey of [2-methyl-3-[(2-methyl-1H-indol-4-yl)methyl]-1H-indol-4-yl]methanol?
The InChIKey is CMYNQPQCELERKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-12-9-17-14(5-3-7-18(17)21-12)10-16-13(2)22-19-8-4-6-15(11-23)20(16)19/h3-9,21-23H,10-11H2,1-2H3.
What are the key properties of [2-methyl-3-[(2-methyl-1H-indol-4-yl)methyl]-1H-indol-4-yl]methanol?
[2-methyl-3-[(2-methyl-1H-indol-4-yl)methyl]-1H-indol-4-yl]methanol has a molecular weight of 304.39 g/mol, XLogP of 4.35, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3-[(2-methyl-1H-indol-4-yl)methyl]-1H-indol-4-yl]methanol is sourced from PubChem (CID 638843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).