1,2-dimethyl-5-(5-methyl-3-methylidene-1H-isoindol-2-yl)indole;molecular hydrogen

C20H22N2 — CID 143783414

IUPAC1,2-dimethyl-5-(5-methyl-3-methylidene-1H-isoindol-2-yl)indole;molecular hydrogen
SMILESC=C1c2cc(C)ccc2CN1c1ccc2c(c1)cc(C)n2C.[H][H]
InChIInChI=1S/C20H20N2.H2/c1-13-5-6-16-12-22(15(3)19(16)9-13)18-7-8-20-17(11-18)10-14(2)21(20)4;/h5-11H,3,12H2,1-2,4H3;1H
InChIKeyAOHJBYWNVQJJHD-UHFFFAOYSA-N
MW290.41 g/mol
LogP5.03
Rot. Bonds1

About 1,2-dimethyl-5-(5-methyl-3-methylidene-1H-isoindol-2-yl)indole;molecular hydrogen

1,2-dimethyl-5-(5-methyl-3-methylidene-1H-isoindol-2-yl)indole;molecular hydrogen (PubChem CID 143783414) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1,2-dimethyl-5-(5-methyl-3-methylidene-1H-isoindol-2-yl)indole;molecular hydrogen.

Molecular Properties

Compound Name1,2-dimethyl-5-(5-methyl-3-methylidene-1H-isoindol-2-yl)indole;molecular hydrogen
PubChem CID143783414
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Name1,2-dimethyl-5-(5-methyl-3-methylidene-1H-isoindol-2-yl)indole;molecular hydrogen
SMILESC=C1c2cc(C)ccc2CN1c1ccc2c(c1)cc(C)n2C.[H][H]
InChIInChI=1S/C20H20N2.H2/c1-13-5-6-16-12-22(15(3)19(16)9-13)18-7-8-20-17(11-18)10-14(2)21(20)4;/h5-11H,3,12H2,1-2,4H3;1H
InChIKeyAOHJBYWNVQJJHD-UHFFFAOYSA-N
XLogP5.03
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.41
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,2-dimethylindol-5-yl)-6-methoxy-3H-isoindol-1-one
CID 42600648
5-(5-ethyl-3-methylidene-1H-isoindol-2-yl)-1-methyl-2-propylindole
CID 143783539
2-(1,2-dimethylindol-5-yl)-6-methylsulfonyl-3H-isoindol-1-one
CID 59543225
2-(1,2-dimethylindol-5-yl)-6-(2-methylpropyl)-3H-isoindol-1-one
CID 59543278
6-(5-methyl-3-methylidene-1H-isoindol-2-yl)-1,3-benzothiazole
CID 89191033
5-(4-ethylphenyl)-3-methylidene-2-(1-methylindol-5-yl)-1H-isoindole
CID 143783411
1,2-dimethylindol-5-amine
CID 6484710
ethane;methane;6-methyl-2-(1-propan-2-ylindol-5-yl)-3H-isoindol-1-one
CID 143783435
6-bromo-3-methylidene-2-(1-methylindol-5-yl)-1H-isoindole
CID 89191024
6-methoxy-2-[2-(methoxymethyl)-1-methylindol-5-yl]-3H-isoindol-1-one
CID 59543279
2-(1,2-dimethylindol-5-yl)-6-ethylisoindol-1-ol
CID 91249384
4-(1,2-dimethylindol-5-yl)aniline
CID 116996411

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-5-(5-methyl-3-methylidene-1H-isoindol-2-yl)indole;molecular hydrogen?
The IUPAC name of 1,2-dimethyl-5-(5-methyl-3-methylidene-1H-isoindol-2-yl)indole;molecular hydrogen (CID 143783414) is 1,2-dimethyl-5-(5-methyl-3-methylidene-1H-isoindol-2-yl)indole;molecular hydrogen.
What is the SMILES notation for 1,2-dimethyl-5-(5-methyl-3-methylidene-1H-isoindol-2-yl)indole;molecular hydrogen?
The canonical SMILES for 1,2-dimethyl-5-(5-methyl-3-methylidene-1H-isoindol-2-yl)indole;molecular hydrogen is C=C1c2cc(C)ccc2CN1c1ccc2c(c1)cc(C)n2C.[H][H].
What is the InChIKey of 1,2-dimethyl-5-(5-methyl-3-methylidene-1H-isoindol-2-yl)indole;molecular hydrogen?
The InChIKey is AOHJBYWNVQJJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2.H2/c1-13-5-6-16-12-22(15(3)19(16)9-13)18-7-8-20-17(11-18)10-14(2)21(20)4;/h5-11H,3,12H2,1-2,4H3;1H.
What are the key properties of 1,2-dimethyl-5-(5-methyl-3-methylidene-1H-isoindol-2-yl)indole;molecular hydrogen?
1,2-dimethyl-5-(5-methyl-3-methylidene-1H-isoindol-2-yl)indole;molecular hydrogen has a molecular weight of 290.41 g/mol, XLogP of 5.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5-(5-methyl-3-methylidene-1H-isoindol-2-yl)indole;molecular hydrogen is sourced from PubChem (CID 143783414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).