2-methyl-3-[(5-methylfuran-2-yl)-(2-methyl-1H-indol-3-yl)methyl]-1H-indole

C24H22N2O — CID 3945115

IUPAC2-methyl-3-[(5-methylfuran-2-yl)-(2-methyl-1H-indol-3-yl)methyl]-1H-indole
SMILESCc1ccc(C(c2c(C)[nH]c3ccccc23)c2c(C)[nH]c3ccccc23)o1
InChIInChI=1S/C24H22N2O/c1-14-12-13-21(27-14)24(22-15(2)25-19-10-6-4-8-17(19)22)23-16(3)26-20-11-7-5-9-18(20)23/h4-13,24-26H,1-3H3
InChIKeyYPMUDBLBZRKRIQ-UHFFFAOYSA-N
MW354.45 g/mol
LogP6.35
Rot. Bonds3

About 2-methyl-3-[(5-methylfuran-2-yl)-(2-methyl-1H-indol-3-yl)methyl]-1H-indole

2-methyl-3-[(5-methylfuran-2-yl)-(2-methyl-1H-indol-3-yl)methyl]-1H-indole (PubChem CID 3945115) has the molecular formula C24H22N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-methyl-3-[(5-methylfuran-2-yl)-(2-methyl-1H-indol-3-yl)methyl]-1H-indole.

Molecular Properties

Compound Name2-methyl-3-[(5-methylfuran-2-yl)-(2-methyl-1H-indol-3-yl)methyl]-1H-indole
PubChem CID3945115
Molecular FormulaC24H22N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC Name2-methyl-3-[(5-methylfuran-2-yl)-(2-methyl-1H-indol-3-yl)methyl]-1H-indole
SMILESCc1ccc(C(c2c(C)[nH]c3ccccc23)c2c(C)[nH]c3ccccc23)o1
InChIInChI=1S/C24H22N2O/c1-14-12-13-21(27-14)24(22-15(2)25-19-10-6-4-8-17(19)22)23-16(3)26-20-11-7-5-9-18(20)23/h4-13,24-26H,1-3H3
InChIKeyYPMUDBLBZRKRIQ-UHFFFAOYSA-N
XLogP6.35
TPSA44.72 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 56.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(5-methylfuran-2-yl)-(2-methyl-1H-indol-3-yl)methyl]-1H-indole?
The IUPAC name of 2-methyl-3-[(5-methylfuran-2-yl)-(2-methyl-1H-indol-3-yl)methyl]-1H-indole (CID 3945115) is 2-methyl-3-[(5-methylfuran-2-yl)-(2-methyl-1H-indol-3-yl)methyl]-1H-indole.
What is the SMILES notation for 2-methyl-3-[(5-methylfuran-2-yl)-(2-methyl-1H-indol-3-yl)methyl]-1H-indole?
The canonical SMILES for 2-methyl-3-[(5-methylfuran-2-yl)-(2-methyl-1H-indol-3-yl)methyl]-1H-indole is Cc1ccc(C(c2c(C)[nH]c3ccccc23)c2c(C)[nH]c3ccccc23)o1.
What is the InChIKey of 2-methyl-3-[(5-methylfuran-2-yl)-(2-methyl-1H-indol-3-yl)methyl]-1H-indole?
The InChIKey is YPMUDBLBZRKRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O/c1-14-12-13-21(27-14)24(22-15(2)25-19-10-6-4-8-17(19)22)23-16(3)26-20-11-7-5-9-18(20)23/h4-13,24-26H,1-3H3.
What are the key properties of 2-methyl-3-[(5-methylfuran-2-yl)-(2-methyl-1H-indol-3-yl)methyl]-1H-indole?
2-methyl-3-[(5-methylfuran-2-yl)-(2-methyl-1H-indol-3-yl)methyl]-1H-indole has a molecular weight of 354.45 g/mol, XLogP of 6.35, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(5-methylfuran-2-yl)-(2-methyl-1H-indol-3-yl)methyl]-1H-indole is sourced from PubChem (CID 3945115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).