1-methyl-5-(5-methyl-1,3-dihydroisoindol-2-yl)indole

C18H18N2 — CID 143783352

IUPAC1-methyl-5-(5-methyl-1,3-dihydroisoindol-2-yl)indole
SMILESCc1ccc2c(c1)CN(c1ccc3c(ccn3C)c1)C2
InChIInChI=1S/C18H18N2/c1-13-3-4-15-11-20(12-16(15)9-13)17-5-6-18-14(10-17)7-8-19(18)2/h3-10H,11-12H2,1-2H3
InChIKeyAJZLDUQSBBBZDK-UHFFFAOYSA-N
MW262.36 g/mol
LogP4.01
Rot. Bonds1

About 1-methyl-5-(5-methyl-1,3-dihydroisoindol-2-yl)indole

1-methyl-5-(5-methyl-1,3-dihydroisoindol-2-yl)indole (PubChem CID 143783352) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-methyl-5-(5-methyl-1,3-dihydroisoindol-2-yl)indole.

Molecular Properties

Compound Name1-methyl-5-(5-methyl-1,3-dihydroisoindol-2-yl)indole
PubChem CID143783352
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name1-methyl-5-(5-methyl-1,3-dihydroisoindol-2-yl)indole
SMILESCc1ccc2c(c1)CN(c1ccc3c(ccn3C)c1)C2
InChIInChI=1S/C18H18N2/c1-13-3-4-15-11-20(12-16(15)9-13)17-5-6-18-14(10-17)7-8-19(18)2/h3-10H,11-12H2,1-2H3
InChIKeyAJZLDUQSBBBZDK-UHFFFAOYSA-N
XLogP4.01
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)-1-methylindole
CID 153307041
6-amino-2-(1-methylindol-5-yl)-3H-isoindol-1-one
CID 59543176
2-(4-methylphenyl)-1,3-dihydroisoindol-5-amine
CID 24810857
2-(1-methylindol-5-yl)-3H-isoindol-1-one
CID 59543218
6-bromo-3-methylidene-2-(1-methylindol-5-yl)-1H-isoindole
CID 89191024
5-bromo-2-(1-methylindol-5-yl)-3H-isoindol-1-one
CID 59543372
5-iodo-1-methylindole
CID 11322835
CID 176943794
CID 176943794
5-(4-ethylphenyl)-3-methylidene-2-(1-methylindol-5-yl)-1H-isoindole
CID 143783411
1,7-dimethylpyrrolo[3,2-f]indole
CID 170295030
5-methyl-2-propyl-1,3-dihydroisoindole
CID 130841289
1-(1-methylindol-5-yl)pyrrolidine-2-carboxylic acid
CID 82537997

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(5-methyl-1,3-dihydroisoindol-2-yl)indole?
The IUPAC name of 1-methyl-5-(5-methyl-1,3-dihydroisoindol-2-yl)indole (CID 143783352) is 1-methyl-5-(5-methyl-1,3-dihydroisoindol-2-yl)indole.
What is the SMILES notation for 1-methyl-5-(5-methyl-1,3-dihydroisoindol-2-yl)indole?
The canonical SMILES for 1-methyl-5-(5-methyl-1,3-dihydroisoindol-2-yl)indole is Cc1ccc2c(c1)CN(c1ccc3c(ccn3C)c1)C2.
What is the InChIKey of 1-methyl-5-(5-methyl-1,3-dihydroisoindol-2-yl)indole?
The InChIKey is AJZLDUQSBBBZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-13-3-4-15-11-20(12-16(15)9-13)17-5-6-18-14(10-17)7-8-19(18)2/h3-10H,11-12H2,1-2H3.
What are the key properties of 1-methyl-5-(5-methyl-1,3-dihydroisoindol-2-yl)indole?
1-methyl-5-(5-methyl-1,3-dihydroisoindol-2-yl)indole has a molecular weight of 262.36 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(5-methyl-1,3-dihydroisoindol-2-yl)indole is sourced from PubChem (CID 143783352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).