6-bromo-3-methylidene-2-(1-methylindol-5-yl)-1H-isoindole

C18H15BrN2 — CID 89191024

IUPAC6-bromo-3-methylidene-2-(1-methylindol-5-yl)-1H-isoindole
SMILESC=C1c2ccc(Br)cc2CN1c1ccc2c(ccn2C)c1
InChIInChI=1S/C18H15BrN2/c1-12-17-5-3-15(19)9-14(17)11-21(12)16-4-6-18-13(10-16)7-8-20(18)2/h3-10H,1,11H2,2H3
InChIKeyHFXBKLHICGEMLC-UHFFFAOYSA-N
MW339.24 g/mol
LogP4.93
Rot. Bonds1

About 6-bromo-3-methylidene-2-(1-methylindol-5-yl)-1H-isoindole

6-bromo-3-methylidene-2-(1-methylindol-5-yl)-1H-isoindole (PubChem CID 89191024) has the molecular formula C18H15BrN2 and a molecular weight of 339.24 g/mol. Its IUPAC name is 6-bromo-3-methylidene-2-(1-methylindol-5-yl)-1H-isoindole.

Molecular Properties

Compound Name6-bromo-3-methylidene-2-(1-methylindol-5-yl)-1H-isoindole
PubChem CID89191024
Molecular FormulaC18H15BrN2
Molecular Weight339.24 g/mol
Exact Mass338.04
IUPAC Name6-bromo-3-methylidene-2-(1-methylindol-5-yl)-1H-isoindole
SMILESC=C1c2ccc(Br)cc2CN1c1ccc2c(ccn2C)c1
InChIInChI=1S/C18H15BrN2/c1-12-17-5-3-15(19)9-14(17)11-21(12)16-4-6-18-13(10-16)7-8-20(18)2/h3-10H,1,11H2,2H3
InChIKeyHFXBKLHICGEMLC-UHFFFAOYSA-N
XLogP4.93
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzyl-5-Bromo-1H-Indole
CID 285756
5-Bromo-1-methyl-1H-indole
CID 285757
(3r,4s)-1-[(2-Bromo-6-Fluorophenyl)methyl]-N,N-Dimethyl-4-(1-Methyl-1h-Indol-3-Yl)pyrrolidin-3-Amine
CID 124220776
5-bromo-3-[(5-bromo-1H-indol-3-yl)methyl]-1H-indole
CID 10201214
8-bromo-2-methyl-5-(2-(pyridin-2-yl)ethyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 54582939
2-(4-Bromophenyl)indolizine
CID 346940
6-Bromo-1-methyl-1H-indole
CID 15546854
3-Bromo-9-ethylcarbazole
CID 621080
3-Bromo-9-vinyl-9H-carbazole
CID 2223688
3-Bromo-1-methyl-1H-indole
CID 13357736
4-Bromo-1-methyl-1H-indole
CID 22558937
3-Bromo-9-hexyl-9H-carbazole
CID 71354044

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-methylidene-2-(1-methylindol-5-yl)-1H-isoindole?
The IUPAC name of 6-bromo-3-methylidene-2-(1-methylindol-5-yl)-1H-isoindole (CID 89191024) is 6-bromo-3-methylidene-2-(1-methylindol-5-yl)-1H-isoindole.
What is the SMILES notation for 6-bromo-3-methylidene-2-(1-methylindol-5-yl)-1H-isoindole?
The canonical SMILES for 6-bromo-3-methylidene-2-(1-methylindol-5-yl)-1H-isoindole is C=C1c2ccc(Br)cc2CN1c1ccc2c(ccn2C)c1.
What is the InChIKey of 6-bromo-3-methylidene-2-(1-methylindol-5-yl)-1H-isoindole?
The InChIKey is HFXBKLHICGEMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2/c1-12-17-5-3-15(19)9-14(17)11-21(12)16-4-6-18-13(10-16)7-8-20(18)2/h3-10H,1,11H2,2H3.
What are the key properties of 6-bromo-3-methylidene-2-(1-methylindol-5-yl)-1H-isoindole?
6-bromo-3-methylidene-2-(1-methylindol-5-yl)-1H-isoindole has a molecular weight of 339.24 g/mol, XLogP of 4.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-methylidene-2-(1-methylindol-5-yl)-1H-isoindole is sourced from PubChem (CID 89191024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).