1-benzyl-7-methyl-2-phenylindole

C22H19N — CID 155931625

IUPAC1-benzyl-7-methyl-2-phenylindole
SMILESCc1cccc2cc(-c3ccccc3)n(Cc3ccccc3)c12
InChIInChI=1S/C22H19N/c1-17-9-8-14-20-15-21(19-12-6-3-7-13-19)23(22(17)20)16-18-10-4-2-5-11-18/h2-15H,16H2,1H3
InChIKeyBLNIMHOBEGHUGZ-UHFFFAOYSA-N
MW297.40 g/mol
LogP5.67
Rot. Bonds3

About 1-benzyl-7-methyl-2-phenylindole

1-benzyl-7-methyl-2-phenylindole (PubChem CID 155931625) has the molecular formula C22H19N and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-benzyl-7-methyl-2-phenylindole.

Molecular Properties

Compound Name1-benzyl-7-methyl-2-phenylindole
PubChem CID155931625
Molecular FormulaC22H19N
Molecular Weight297.40 g/mol
Exact Mass297.15
IUPAC Name1-benzyl-7-methyl-2-phenylindole
SMILESCc1cccc2cc(-c3ccccc3)n(Cc3ccccc3)c12
InChIInChI=1S/C22H19N/c1-17-9-8-14-20-15-21(19-12-6-3-7-13-19)23(22(17)20)16-18-10-4-2-5-11-18/h2-15H,16H2,1H3
InChIKeyBLNIMHOBEGHUGZ-UHFFFAOYSA-N
XLogP5.67
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.40
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-methyl-2-[(4-methylphenyl)methyl]-3-phenylisoquinolin-1-one
CID 10449864
1-benzyl-6-methoxy-2-phenylpyrrolo[3,2-c]quinoline
CID 134961907
1-benzyl-2-phenylindole-5-carbonitrile
CID 134943475
1-[(3-fluorophenyl)methyl]-7-methylindole-2-carboxylic acid
CID 83968451
1-benzyl-2-phenylquinoline-4-thione
CID 11381842
1-benzyl-5,7-dimethylindole-2-carboxylic acid
CID 83968494
1-benzyl-2-fluoro-3,5-diphenylpyrrole
CID 134836340
1-benzyl-2-chloro-3-methoxy-5-phenylpyrrole
CID 174510723
1-benzyl-2,5-dimethylpyrrole;ethane
CID 142383024
methyl 3-[(5-chloro-2-phenylindol-1-yl)methyl]benzoate
CID 67684782
1-benzyl-2-(2-chloroethyl)-7-methylbenzimidazole
CID 115552681
1-benzyl-2,4-dimethylbenzimidazole
CID 14933027

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-7-methyl-2-phenylindole?
The IUPAC name of 1-benzyl-7-methyl-2-phenylindole (CID 155931625) is 1-benzyl-7-methyl-2-phenylindole.
What is the SMILES notation for 1-benzyl-7-methyl-2-phenylindole?
The canonical SMILES for 1-benzyl-7-methyl-2-phenylindole is Cc1cccc2cc(-c3ccccc3)n(Cc3ccccc3)c12.
What is the InChIKey of 1-benzyl-7-methyl-2-phenylindole?
The InChIKey is BLNIMHOBEGHUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N/c1-17-9-8-14-20-15-21(19-12-6-3-7-13-19)23(22(17)20)16-18-10-4-2-5-11-18/h2-15H,16H2,1H3.
What are the key properties of 1-benzyl-7-methyl-2-phenylindole?
1-benzyl-7-methyl-2-phenylindole has a molecular weight of 297.40 g/mol, XLogP of 5.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-7-methyl-2-phenylindole is sourced from PubChem (CID 155931625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).