[3-(2-hydroxyphenyl)-1-methylindol-2-yl]-(1-methylindol-3-yl)methanone

C25H20N2O2 — CID 177406547

IUPAC[3-(2-hydroxyphenyl)-1-methylindol-2-yl]-(1-methylindol-3-yl)methanone
SMILESCn1cc(C(=O)c2c(-c3ccccc3O)c3ccccc3n2C)c2ccccc21
InChIInChI=1S/C25H20N2O2/c1-26-15-19(16-9-3-6-12-20(16)26)25(29)24-23(18-11-5-8-14-22(18)28)17-10-4-7-13-21(17)27(24)2/h3-15,28H,1-2H3
InChIKeyKRFNRUVNCIDJTH-UHFFFAOYSA-N
MW380.45 g/mol
LogP5.27
Rot. Bonds3

About [3-(2-hydroxyphenyl)-1-methylindol-2-yl]-(1-methylindol-3-yl)methanone

[3-(2-hydroxyphenyl)-1-methylindol-2-yl]-(1-methylindol-3-yl)methanone (PubChem CID 177406547) has the molecular formula C25H20N2O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is [3-(2-hydroxyphenyl)-1-methylindol-2-yl]-(1-methylindol-3-yl)methanone.

Molecular Properties

Compound Name[3-(2-hydroxyphenyl)-1-methylindol-2-yl]-(1-methylindol-3-yl)methanone
PubChem CID177406547
Molecular FormulaC25H20N2O2
Molecular Weight380.45 g/mol
Exact Mass380.15
IUPAC Name[3-(2-hydroxyphenyl)-1-methylindol-2-yl]-(1-methylindol-3-yl)methanone
SMILESCn1cc(C(=O)c2c(-c3ccccc3O)c3ccccc3n2C)c2ccccc21
InChIInChI=1S/C25H20N2O2/c1-26-15-19(16-9-3-6-12-20(16)26)25(29)24-23(18-11-5-8-14-22(18)28)17-10-4-7-13-21(17)27(24)2/h3-15,28H,1-2H3
InChIKeyKRFNRUVNCIDJTH-UHFFFAOYSA-N
XLogP5.27
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.45
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1,2-dimethylindol-3-yl)-(1-methylindol-3-yl)methanone
CID 23544603
2-(1-methylindol-3-yl)phenol
CID 154709769
1-methylindole-3-carbothioic S-acid
CID 116918837
furan-3-yl-(1-methylindol-3-yl)methanone
CID 43463454
ethane;2-(1-methylindol-3-yl)-2-oxoacetic acid
CID 91016552
2-(1-methylindol-3-yl)-2-oxoacetamide
CID 594179
N-ethyl-1-methylindole-3-carboxamide
CID 25348690
(1-methylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 170857099
(2-methylfuran-3-yl)-(1-methylindol-3-yl)methanone
CID 43463456
chloro 1-methylindole-3-carboxylate
CID 69132264
(2-bromo-5-methylphenyl)-(1-methylindol-3-yl)methanone
CID 81111128
[3-(methylamino)phenyl]-(1-methylindol-3-yl)methanone
CID 116917320

Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxyphenyl)-1-methylindol-2-yl]-(1-methylindol-3-yl)methanone?
The IUPAC name of [3-(2-hydroxyphenyl)-1-methylindol-2-yl]-(1-methylindol-3-yl)methanone (CID 177406547) is [3-(2-hydroxyphenyl)-1-methylindol-2-yl]-(1-methylindol-3-yl)methanone.
What is the SMILES notation for [3-(2-hydroxyphenyl)-1-methylindol-2-yl]-(1-methylindol-3-yl)methanone?
The canonical SMILES for [3-(2-hydroxyphenyl)-1-methylindol-2-yl]-(1-methylindol-3-yl)methanone is Cn1cc(C(=O)c2c(-c3ccccc3O)c3ccccc3n2C)c2ccccc21.
What is the InChIKey of [3-(2-hydroxyphenyl)-1-methylindol-2-yl]-(1-methylindol-3-yl)methanone?
The InChIKey is KRFNRUVNCIDJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O2/c1-26-15-19(16-9-3-6-12-20(16)26)25(29)24-23(18-11-5-8-14-22(18)28)17-10-4-7-13-21(17)27(24)2/h3-15,28H,1-2H3.
What are the key properties of [3-(2-hydroxyphenyl)-1-methylindol-2-yl]-(1-methylindol-3-yl)methanone?
[3-(2-hydroxyphenyl)-1-methylindol-2-yl]-(1-methylindol-3-yl)methanone has a molecular weight of 380.45 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyphenyl)-1-methylindol-2-yl]-(1-methylindol-3-yl)methanone is sourced from PubChem (CID 177406547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).