(3,5-dimethyl-1H-indol-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone

C20H20N2O — CID 84578405

IUPAC(3,5-dimethyl-1H-indol-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCc1ccc2[nH]c(C(=O)N3c4ccccc4CC3C)c(C)c2c1
InChIInChI=1S/C20H20N2O/c1-12-8-9-17-16(10-12)14(3)19(21-17)20(23)22-13(2)11-15-6-4-5-7-18(15)22/h4-10,13,21H,11H2,1-3H3
InChIKeyQFAMQQHLMSUPNP-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.38
Rot. Bonds1

About (3,5-dimethyl-1H-indol-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone

(3,5-dimethyl-1H-indol-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 84578405) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is (3,5-dimethyl-1H-indol-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1H-indol-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID84578405
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name(3,5-dimethyl-1H-indol-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCc1ccc2[nH]c(C(=O)N3c4ccccc4CC3C)c(C)c2c1
InChIInChI=1S/C20H20N2O/c1-12-8-9-17-16(10-12)14(3)19(21-17)20(23)22-13(2)11-15-6-4-5-7-18(15)22/h4-10,13,21H,11H2,1-3H3
InChIKeyQFAMQQHLMSUPNP-UHFFFAOYSA-N
XLogP4.38
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2-iodo-4-methylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 100527033
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CID 3207319
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
(3,5-dimethyl-1H-indol-2-yl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone
CID 70717996
(3-bromo-5-methylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 104851784
3-(2-methyl-2,3-dihydroindole-1-carbonyl)-2H-isoquinolin-1-one
CID 78802140
6-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyridin-2-one
CID 107362801
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(2-methylfuran-3-yl)methanone
CID 35523959
(4-amino-5-methylthiophen-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 61091919
ethyl 3,5-dimethyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrrole-2-carboxylate
CID 43953848
(2-methyl-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-5-yl)methanone
CID 110863850
(2-methyl-2,3-dihydroindol-1-yl)-(6-methylpyrimidin-4-yl)methanone
CID 110863859

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1H-indol-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (3,5-dimethyl-1H-indol-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 84578405) is (3,5-dimethyl-1H-indol-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (3,5-dimethyl-1H-indol-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (3,5-dimethyl-1H-indol-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone is Cc1ccc2[nH]c(C(=O)N3c4ccccc4CC3C)c(C)c2c1.
What is the InChIKey of (3,5-dimethyl-1H-indol-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is QFAMQQHLMSUPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-12-8-9-17-16(10-12)14(3)19(21-17)20(23)22-13(2)11-15-6-4-5-7-18(15)22/h4-10,13,21H,11H2,1-3H3.
What are the key properties of (3,5-dimethyl-1H-indol-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
(3,5-dimethyl-1H-indol-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 304.39 g/mol, XLogP of 4.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1H-indol-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 84578405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).