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

C24H22N2O — CID 86091125

IUPAC1-methyl-3-[(5-methylfuran-2-yl)-(1-methylindol-3-yl)methyl]indole
SMILESCc1ccc(C(c2cn(C)c3ccccc23)c2cn(C)c3ccccc23)o1
InChIInChI=1S/C24H22N2O/c1-16-12-13-23(27-16)24(19-14-25(2)21-10-6-4-8-17(19)21)20-15-26(3)22-11-7-5-9-18(20)22/h4-15,24H,1-3H3
InChIKeyVELHLESRASFPJX-UHFFFAOYSA-N
MW354.45 g/mol
LogP5.75
Rot. Bonds3

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

1-methyl-3-[(5-methylfuran-2-yl)-(1-methylindol-3-yl)methyl]indole (PubChem CID 86091125) has the molecular formula C24H22N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-methyl-3-[(5-methylfuran-2-yl)-(1-methylindol-3-yl)methyl]indole.

Molecular Properties

Compound Name1-methyl-3-[(5-methylfuran-2-yl)-(1-methylindol-3-yl)methyl]indole
PubChem CID86091125
Molecular FormulaC24H22N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC Name1-methyl-3-[(5-methylfuran-2-yl)-(1-methylindol-3-yl)methyl]indole
SMILESCc1ccc(C(c2cn(C)c3ccccc23)c2cn(C)c3ccccc23)o1
InChIInChI=1S/C24H22N2O/c1-16-12-13-23(27-16)24(19-14-25(2)21-10-6-4-8-17(19)21)20-15-26(3)22-11-7-5-9-18(20)22/h4-15,24H,1-3H3
InChIKeyVELHLESRASFPJX-UHFFFAOYSA-N
XLogP5.75
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methyl-3-[(5-methylfuran-2-yl)-(1-methylindol-3-yl)methyl]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-3-[(1-methylindol-3-yl)-(2-methylphenyl)methyl]indole
CID 177441153
1-methyl-3-propan-2-ylindole
CID 10942942
1-methyl-3-[(1-methylindol-3-yl)-thiophen-2-ylmethyl]indole
CID 5087383
3-[(4-fluorophenyl)-(1-methylindol-3-yl)methyl]-1-methylindole
CID 66555482
3-(1-chloroethyl)-1-methylindole
CID 174876256
3-(1-bromoethyl)-1-methylindole
CID 174852068
1-chloro-N,N-dimethyl-1-(1-methylindol-3-yl)methanamine
CID 116915219
2-[bis(1-methylindol-3-yl)methyl]-4-chlorophenol
CID 54754000
1-methyl-3-[(S)-phenyl(thiophen-2-yl)methyl]indole
CID 92720063
N,N-dimethyl-4-[(1-methylindol-3-yl)-phenylmethyl]aniline
CID 86230420
1-methyl-3-(4-methylpentan-2-yl)indole
CID 129132134
1-methyl-3-[1-(1-methylindol-3-yl)butyl]indole
CID 22019303

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(5-methylfuran-2-yl)-(1-methylindol-3-yl)methyl]indole?
The IUPAC name of 1-methyl-3-[(5-methylfuran-2-yl)-(1-methylindol-3-yl)methyl]indole (CID 86091125) is 1-methyl-3-[(5-methylfuran-2-yl)-(1-methylindol-3-yl)methyl]indole.
What is the SMILES notation for 1-methyl-3-[(5-methylfuran-2-yl)-(1-methylindol-3-yl)methyl]indole?
The canonical SMILES for 1-methyl-3-[(5-methylfuran-2-yl)-(1-methylindol-3-yl)methyl]indole is Cc1ccc(C(c2cn(C)c3ccccc23)c2cn(C)c3ccccc23)o1.
What is the InChIKey of 1-methyl-3-[(5-methylfuran-2-yl)-(1-methylindol-3-yl)methyl]indole?
The InChIKey is VELHLESRASFPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O/c1-16-12-13-23(27-16)24(19-14-25(2)21-10-6-4-8-17(19)21)20-15-26(3)22-11-7-5-9-18(20)22/h4-15,24H,1-3H3.
What are the key properties of 1-methyl-3-[(5-methylfuran-2-yl)-(1-methylindol-3-yl)methyl]indole?
1-methyl-3-[(5-methylfuran-2-yl)-(1-methylindol-3-yl)methyl]indole has a molecular weight of 354.45 g/mol, XLogP of 5.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(5-methylfuran-2-yl)-(1-methylindol-3-yl)methyl]indole is sourced from PubChem (CID 86091125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).