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

C22H18N2O — CID 46871745

IUPAC1-methyl-3-[5-(1-methylindol-3-yl)furan-2-yl]indole
SMILESCn1cc(-c2ccc(-c3cn(C)c4ccccc34)o2)c2ccccc21
InChIInChI=1S/C22H18N2O/c1-23-13-17(15-7-3-5-9-19(15)23)21-11-12-22(25-21)18-14-24(2)20-10-6-4-8-16(18)20/h3-14H,1-2H3
InChIKeyORWQAJIFGODCKL-UHFFFAOYSA-N
MW326.40 g/mol
LogP5.60
Rot. Bonds2

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

1-methyl-3-[5-(1-methylindol-3-yl)furan-2-yl]indole (PubChem CID 46871745) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-methyl-3-[5-(1-methylindol-3-yl)furan-2-yl]indole.

Molecular Properties

Compound Name1-methyl-3-[5-(1-methylindol-3-yl)furan-2-yl]indole
PubChem CID46871745
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC Name1-methyl-3-[5-(1-methylindol-3-yl)furan-2-yl]indole
SMILESCn1cc(-c2ccc(-c3cn(C)c4ccccc34)o2)c2ccccc21
InChIInChI=1S/C22H18N2O/c1-23-13-17(15-7-3-5-9-19(15)23)21-11-12-22(25-21)18-14-24(2)20-10-6-4-8-16(18)20/h3-14H,1-2H3
InChIKeyORWQAJIFGODCKL-UHFFFAOYSA-N
XLogP5.60
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.40
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxyphenyl)(1-pentyl-1H-indol-3-yl)methanone
CID 56841530
1-Pentyl-1H-indole-3-carboxylic acid 8-quinolinyl ester
CID 71604304
Jwh 250
CID 44397540
Jwh 302
CID 11493740
2-(4-Methoxyphenyl)-1-(1-pentylindol-3-YL)ethanone
CID 44397641
SR-18
CID 53394099
5-fluoro-PB-22
CID 72710774
NM-2201
CID 91864534
6-methoxy-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole
CID 11508949
6-(benzyloxy)-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole
CID 11669478
1-[2-(2-methoxyphenoxy)ethyl]-1H-indole-3-carbaldehyde
CID 675068
Jwh-166
CID 11372171

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[5-(1-methylindol-3-yl)furan-2-yl]indole?
The IUPAC name of 1-methyl-3-[5-(1-methylindol-3-yl)furan-2-yl]indole (CID 46871745) is 1-methyl-3-[5-(1-methylindol-3-yl)furan-2-yl]indole.
What is the SMILES notation for 1-methyl-3-[5-(1-methylindol-3-yl)furan-2-yl]indole?
The canonical SMILES for 1-methyl-3-[5-(1-methylindol-3-yl)furan-2-yl]indole is Cn1cc(-c2ccc(-c3cn(C)c4ccccc34)o2)c2ccccc21.
What is the InChIKey of 1-methyl-3-[5-(1-methylindol-3-yl)furan-2-yl]indole?
The InChIKey is ORWQAJIFGODCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O/c1-23-13-17(15-7-3-5-9-19(15)23)21-11-12-22(25-21)18-14-24(2)20-10-6-4-8-16(18)20/h3-14H,1-2H3.
What are the key properties of 1-methyl-3-[5-(1-methylindol-3-yl)furan-2-yl]indole?
1-methyl-3-[5-(1-methylindol-3-yl)furan-2-yl]indole has a molecular weight of 326.40 g/mol, XLogP of 5.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[5-(1-methylindol-3-yl)furan-2-yl]indole is sourced from PubChem (CID 46871745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).