3-[(5-fluoro-1,3-dihydroisoindol-2-yl)methyl]-5-methyl-1H-indole

C18H17FN2 — CID 171676189

IUPAC3-[(5-fluoro-1,3-dihydroisoindol-2-yl)methyl]-5-methyl-1H-indole
SMILESCc1ccc2[nH]cc(CN3Cc4ccc(F)cc4C3)c2c1
InChIInChI=1S/C18H17FN2/c1-12-2-5-18-17(6-12)15(8-20-18)11-21-9-13-3-4-16(19)7-14(13)10-21/h2-8,20H,9-11H2,1H3
InChIKeyDZHSILFLAYJORB-UHFFFAOYSA-N
MW280.35 g/mol
LogP4.13
Rot. Bonds2

About 3-[(5-fluoro-1,3-dihydroisoindol-2-yl)methyl]-5-methyl-1H-indole

3-[(5-fluoro-1,3-dihydroisoindol-2-yl)methyl]-5-methyl-1H-indole (PubChem CID 171676189) has the molecular formula C18H17FN2 and a molecular weight of 280.35 g/mol. Its IUPAC name is 3-[(5-fluoro-1,3-dihydroisoindol-2-yl)methyl]-5-methyl-1H-indole.

Molecular Properties

Compound Name3-[(5-fluoro-1,3-dihydroisoindol-2-yl)methyl]-5-methyl-1H-indole
PubChem CID171676189
Molecular FormulaC18H17FN2
Molecular Weight280.35 g/mol
Exact Mass280.14
IUPAC Name3-[(5-fluoro-1,3-dihydroisoindol-2-yl)methyl]-5-methyl-1H-indole
SMILESCc1ccc2[nH]cc(CN3Cc4ccc(F)cc4C3)c2c1
InChIInChI=1S/C18H17FN2/c1-12-2-5-18-17(6-12)15(8-20-18)11-21-9-13-3-4-16(19)7-14(13)10-21/h2-8,20H,9-11H2,1H3
InChIKeyDZHSILFLAYJORB-UHFFFAOYSA-N
XLogP4.13
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(4-methoxy-1,3-dihydroisoindol-2-yl)methyl]-5-methyl-1H-indole
CID 171676178
5-methyl-3-(piperazin-1-ylmethyl)-1H-indole
CID 82277559
5-fluoro-2-[(4-methylphenyl)methyl]-1,3-dihydroisoindole
CID 91561495
3-(1,4-diazepan-1-ylmethyl)-5-methyl-1H-indole
CID 82497500
1-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone
CID 127264792
3-[(2-fluorophenoxy)methyl]-5-methyl-1H-indole
CID 117185110
7-[(5-methyl-1H-indol-3-yl)methyl]-2-(4-methylphenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931103
5-bromo-2-[(2,5-difluorophenyl)methyl]-1,3-dihydroisoindole
CID 171369204
7-[(5-methyl-1H-indol-3-yl)methyl]-2-sulfanylidene-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 24935431
(5-fluoro-1H-indol-3-yl)methanethiol
CID 117175254
7-[(5-fluoro-1H-indol-3-yl)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931057
3-(3-methoxypropyl)-5-methyl-1H-indole
CID 66596207

Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-1,3-dihydroisoindol-2-yl)methyl]-5-methyl-1H-indole?
The IUPAC name of 3-[(5-fluoro-1,3-dihydroisoindol-2-yl)methyl]-5-methyl-1H-indole (CID 171676189) is 3-[(5-fluoro-1,3-dihydroisoindol-2-yl)methyl]-5-methyl-1H-indole.
What is the SMILES notation for 3-[(5-fluoro-1,3-dihydroisoindol-2-yl)methyl]-5-methyl-1H-indole?
The canonical SMILES for 3-[(5-fluoro-1,3-dihydroisoindol-2-yl)methyl]-5-methyl-1H-indole is Cc1ccc2[nH]cc(CN3Cc4ccc(F)cc4C3)c2c1.
What is the InChIKey of 3-[(5-fluoro-1,3-dihydroisoindol-2-yl)methyl]-5-methyl-1H-indole?
The InChIKey is DZHSILFLAYJORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2/c1-12-2-5-18-17(6-12)15(8-20-18)11-21-9-13-3-4-16(19)7-14(13)10-21/h2-8,20H,9-11H2,1H3.
What are the key properties of 3-[(5-fluoro-1,3-dihydroisoindol-2-yl)methyl]-5-methyl-1H-indole?
3-[(5-fluoro-1,3-dihydroisoindol-2-yl)methyl]-5-methyl-1H-indole has a molecular weight of 280.35 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-1,3-dihydroisoindol-2-yl)methyl]-5-methyl-1H-indole is sourced from PubChem (CID 171676189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).