2-benzyl-1,1,3,3,5-pentamethylisoindole

C20H25N — CID 71605999

IUPAC2-benzyl-1,1,3,3,5-pentamethylisoindole
SMILESCc1ccc2c(c1)C(C)(C)N(Cc1ccccc1)C2(C)C
InChIInChI=1S/C20H25N/c1-15-11-12-17-18(13-15)20(4,5)21(19(17,2)3)14-16-9-7-6-8-10-16/h6-13H,14H2,1-5H3
InChIKeyNGIDXHVJHHGHGB-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.98
Rot. Bonds2

About 2-benzyl-1,1,3,3,5-pentamethylisoindole

2-benzyl-1,1,3,3,5-pentamethylisoindole (PubChem CID 71605999) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-benzyl-1,1,3,3,5-pentamethylisoindole.

Molecular Properties

Compound Name2-benzyl-1,1,3,3,5-pentamethylisoindole
PubChem CID71605999
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name2-benzyl-1,1,3,3,5-pentamethylisoindole
SMILESCc1ccc2c(c1)C(C)(C)N(Cc1ccccc1)C2(C)C
InChIInChI=1S/C20H25N/c1-15-11-12-17-18(13-15)20(4,5)21(19(17,2)3)14-16-9-7-6-8-10-16/h6-13H,14H2,1-5H3
InChIKeyNGIDXHVJHHGHGB-UHFFFAOYSA-N
XLogP4.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,3,3,5-pentamethyl-2-phenylmethoxyisoindole
CID 143568372
2-benzyl-1,1,3,3-tetramethylbenzo[de]isoquinoline
CID 23652181
1,1,3,3-tetramethyl-2-(2-phenylethyl)isoindole
CID 69267798
2,2,5,9,9,16,16-heptamethyltetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3(8),4,6,10,12,14,17,19-nonaene
CID 177102314
(1R,12S)-15,16-dibenzyl-1,3,5,8,10,12-hexamethyl-15,16-diazapentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,6,9,13-pentaene
CID 45043559
5-bromo-1,1,3,3-tetramethyl-2-phenylmethoxyisoindole
CID 25172546
2-(1-benzyl-3,5-dimethyl-2-oxoindol-3-yl)acetonitrile
CID 102395058
1-benzyl-3-hydroxy-5-methyl-3-(2-methylprop-2-enyl)indol-2-one
CID 162398531
1-benzyl-3-(2,4-dimethylphenyl)pyrrolidin-3-amine
CID 130137268
9,9-bis[(9-benzyl-2,7-dimethylfluoren-9-yl)methyl]-2,7-dimethylfluorene
CID 59027602
1-benzyl-2-chloro-4-methylpyrrole
CID 139840309
1'-benzyl-5-methylspiro[1,2-dihydroindene-3,5'-piperidine]-2'-one
CID 102589034

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1,1,3,3,5-pentamethylisoindole?
The IUPAC name of 2-benzyl-1,1,3,3,5-pentamethylisoindole (CID 71605999) is 2-benzyl-1,1,3,3,5-pentamethylisoindole.
What is the SMILES notation for 2-benzyl-1,1,3,3,5-pentamethylisoindole?
The canonical SMILES for 2-benzyl-1,1,3,3,5-pentamethylisoindole is Cc1ccc2c(c1)C(C)(C)N(Cc1ccccc1)C2(C)C.
What is the InChIKey of 2-benzyl-1,1,3,3,5-pentamethylisoindole?
The InChIKey is NGIDXHVJHHGHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-15-11-12-17-18(13-15)20(4,5)21(19(17,2)3)14-16-9-7-6-8-10-16/h6-13H,14H2,1-5H3.
What are the key properties of 2-benzyl-1,1,3,3,5-pentamethylisoindole?
2-benzyl-1,1,3,3,5-pentamethylisoindole has a molecular weight of 279.43 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1,1,3,3,5-pentamethylisoindole is sourced from PubChem (CID 71605999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).