4-[(1-methylindol-3-yl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine

C24H26N4O3S — CID 78151146

IUPAC4-[(1-methylindol-3-yl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine
SMILESCn1cc(CN2CCOCC2c2ncc(-c3ccc(S(C)(=O)=O)cc3)[nH]2)c2ccccc21
InChIInChI=1S/C24H26N4O3S/c1-27-14-18(20-5-3-4-6-22(20)27)15-28-11-12-31-16-23(28)24-25-13-21(26-24)17-7-9-19(10-8-17)32(2,29)30/h3-10,13-14,23H,11-12,15-16H2,1-2H3,(H,25,26)
InChIKeySCQAMDWWIZFLDS-UHFFFAOYSA-N
MW450.56 g/mol
LogP3.55
Rot. Bonds5

About 4-[(1-methylindol-3-yl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine

4-[(1-methylindol-3-yl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine (PubChem CID 78151146) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is 4-[(1-methylindol-3-yl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[(1-methylindol-3-yl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine
PubChem CID78151146
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC Name4-[(1-methylindol-3-yl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine
SMILESCn1cc(CN2CCOCC2c2ncc(-c3ccc(S(C)(=O)=O)cc3)[nH]2)c2ccccc21
InChIInChI=1S/C24H26N4O3S/c1-27-14-18(20-5-3-4-6-22(20)27)15-28-11-12-31-16-23(28)24-25-13-21(26-24)17-7-9-19(10-8-17)32(2,29)30/h3-10,13-14,23H,11-12,15-16H2,1-2H3,(H,25,26)
InChIKeySCQAMDWWIZFLDS-UHFFFAOYSA-N
XLogP3.55
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylindol-3-yl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine?
The IUPAC name of 4-[(1-methylindol-3-yl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine (CID 78151146) is 4-[(1-methylindol-3-yl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine.
What is the SMILES notation for 4-[(1-methylindol-3-yl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine?
The canonical SMILES for 4-[(1-methylindol-3-yl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine is Cn1cc(CN2CCOCC2c2ncc(-c3ccc(S(C)(=O)=O)cc3)[nH]2)c2ccccc21.
What is the InChIKey of 4-[(1-methylindol-3-yl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine?
The InChIKey is SCQAMDWWIZFLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S/c1-27-14-18(20-5-3-4-6-22(20)27)15-28-11-12-31-16-23(28)24-25-13-21(26-24)17-7-9-19(10-8-17)32(2,29)30/h3-10,13-14,23H,11-12,15-16H2,1-2H3,(H,25,26).
What are the key properties of 4-[(1-methylindol-3-yl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine?
4-[(1-methylindol-3-yl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine has a molecular weight of 450.56 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylindol-3-yl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine is sourced from PubChem (CID 78151146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).