1-benzyl-6-chloro-2-methylindole

C16H14ClN — CID 121404424

IUPAC1-benzyl-6-chloro-2-methylindole
SMILESCc1cc2ccc(Cl)cc2n1Cc1ccccc1
InChIInChI=1S/C16H14ClN/c1-12-9-14-7-8-15(17)10-16(14)18(12)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyHNSOUBGWAOSYRJ-UHFFFAOYSA-N
MW255.75 g/mol
LogP4.65
Rot. Bonds2

About 1-benzyl-6-chloro-2-methylindole

1-benzyl-6-chloro-2-methylindole (PubChem CID 121404424) has the molecular formula C16H14ClN and a molecular weight of 255.75 g/mol. Its IUPAC name is 1-benzyl-6-chloro-2-methylindole.

Molecular Properties

Compound Name1-benzyl-6-chloro-2-methylindole
PubChem CID121404424
Molecular FormulaC16H14ClN
Molecular Weight255.75 g/mol
Exact Mass255.08
IUPAC Name1-benzyl-6-chloro-2-methylindole
SMILESCc1cc2ccc(Cl)cc2n1Cc1ccccc1
InChIInChI=1S/C16H14ClN/c1-12-9-14-7-8-15(17)10-16(14)18(12)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyHNSOUBGWAOSYRJ-UHFFFAOYSA-N
XLogP4.65
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-chloro-2-methylindole?
The IUPAC name of 1-benzyl-6-chloro-2-methylindole (CID 121404424) is 1-benzyl-6-chloro-2-methylindole.
What is the SMILES notation for 1-benzyl-6-chloro-2-methylindole?
The canonical SMILES for 1-benzyl-6-chloro-2-methylindole is Cc1cc2ccc(Cl)cc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-6-chloro-2-methylindole?
The InChIKey is HNSOUBGWAOSYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN/c1-12-9-14-7-8-15(17)10-16(14)18(12)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3.
What are the key properties of 1-benzyl-6-chloro-2-methylindole?
1-benzyl-6-chloro-2-methylindole has a molecular weight of 255.75 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-chloro-2-methylindole is sourced from PubChem (CID 121404424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).