3-benzyl-2-chloro-1H-indole

C15H12ClN — CID 12605517

IUPAC3-benzyl-2-chloro-1H-indole
SMILESClc1[nH]c2ccccc2c1Cc1ccccc1
InChIInChI=1S/C15H12ClN/c16-15-13(10-11-6-2-1-3-7-11)12-8-4-5-9-14(12)17-15/h1-9,17H,10H2
InChIKeyFFGMDOZGBZLCRT-UHFFFAOYSA-N
MW241.72 g/mol
LogP4.41
Rot. Bonds2

About 3-benzyl-2-chloro-1H-indole

3-benzyl-2-chloro-1H-indole (PubChem CID 12605517) has the molecular formula C15H12ClN and a molecular weight of 241.72 g/mol. Its IUPAC name is 3-benzyl-2-chloro-1H-indole.

Molecular Properties

Compound Name3-benzyl-2-chloro-1H-indole
PubChem CID12605517
Molecular FormulaC15H12ClN
Molecular Weight241.72 g/mol
Exact Mass241.07
IUPAC Name3-benzyl-2-chloro-1H-indole
SMILESClc1[nH]c2ccccc2c1Cc1ccccc1
InChIInChI=1S/C15H12ClN/c16-15-13(10-11-6-2-1-3-7-11)12-8-4-5-9-14(12)17-15/h1-9,17H,10H2
InChIKeyFFGMDOZGBZLCRT-UHFFFAOYSA-N
XLogP4.41
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2-(3-benzyl-1H-indol-2-yl)phenol
CID 142650095
2-benzyl-3-ethyl-1H-indole
CID 13115106
3-benzyl-2-ethylsulfanyl-1H-indole
CID 11414484
(2-benzyl-1H-indol-3-yl)methanol
CID 129187349
3-benzyl-2-thiophen-2-yl-1H-indole
CID 11087509
3-benzyl-1H-indole-2-carboxamide
CID 70180298
2-(2-chloro-1H-indol-3-yl)acetamide
CID 21191872
2-benzyl-1H-indol-3-amine
CID 67876324
1-[4-(3-benzyl-1H-indol-2-yl)phenyl]ethanone
CID 101026071
2-[2-[(4-chlorophenyl)methyl]-1H-indol-3-yl]ethanamine
CID 70181806
4-[(2-methyl-1H-indol-3-yl)methyl]phenol
CID 21239687
3-[(4-methylphenyl)methyl]-1H-indole-2-thiol
CID 54671702

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-chloro-1H-indole?
The IUPAC name of 3-benzyl-2-chloro-1H-indole (CID 12605517) is 3-benzyl-2-chloro-1H-indole.
What is the SMILES notation for 3-benzyl-2-chloro-1H-indole?
The canonical SMILES for 3-benzyl-2-chloro-1H-indole is Clc1[nH]c2ccccc2c1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-chloro-1H-indole?
The InChIKey is FFGMDOZGBZLCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN/c16-15-13(10-11-6-2-1-3-7-11)12-8-4-5-9-14(12)17-15/h1-9,17H,10H2.
What are the key properties of 3-benzyl-2-chloro-1H-indole?
3-benzyl-2-chloro-1H-indole has a molecular weight of 241.72 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-chloro-1H-indole is sourced from PubChem (CID 12605517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).