6-bromo-1-[(4-chlorophenyl)methyl]-5-methylindole

C16H13BrClN — CID 118121664

IUPAC6-bromo-1-[(4-chlorophenyl)methyl]-5-methylindole
SMILESCc1cc2ccn(Cc3ccc(Cl)cc3)c2cc1Br
InChIInChI=1S/C16H13BrClN/c1-11-8-13-6-7-19(16(13)9-15(11)17)10-12-2-4-14(18)5-3-12/h2-9H,10H2,1H3
InChIKeyVNASALHGFLWUME-UHFFFAOYSA-N
MW334.64 g/mol
LogP5.41
Rot. Bonds2

About 6-bromo-1-[(4-chlorophenyl)methyl]-5-methylindole

6-bromo-1-[(4-chlorophenyl)methyl]-5-methylindole (PubChem CID 118121664) has the molecular formula C16H13BrClN and a molecular weight of 334.64 g/mol. Its IUPAC name is 6-bromo-1-[(4-chlorophenyl)methyl]-5-methylindole.

Molecular Properties

Compound Name6-bromo-1-[(4-chlorophenyl)methyl]-5-methylindole
PubChem CID118121664
Molecular FormulaC16H13BrClN
Molecular Weight334.64 g/mol
Exact Mass332.99
IUPAC Name6-bromo-1-[(4-chlorophenyl)methyl]-5-methylindole
SMILESCc1cc2ccn(Cc3ccc(Cl)cc3)c2cc1Br
InChIInChI=1S/C16H13BrClN/c1-11-8-13-6-7-19(16(13)9-15(11)17)10-12-2-4-14(18)5-3-12/h2-9H,10H2,1H3
InChIKeyVNASALHGFLWUME-UHFFFAOYSA-N
XLogP5.41
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.64
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-chlorophenyl)methyl]-5,6-dimethoxyindole
CID 22256781
5-chloro-1-[(3,4-dimethylphenyl)methyl]indole
CID 116623337
6-bromo-1-[(4-chlorophenyl)methyl]-5-methylindazole
CID 59148151
1-[(3-bromo-4-fluorophenyl)methyl]-6-chloroindole
CID 116620438
6-chloro-1-[(4-chlorophenyl)methyl]-5-nitroindole
CID 67964828
5-bromo-1-[(3-chloro-4-fluorophenyl)methyl]indole
CID 103041480
1-[(4-chlorophenyl)methyl]indole-5-carbaldehyde
CID 17221163
5-bromo-1-[(4-ethylphenyl)methyl]indole
CID 116619733
6-chloro-1-[(3,4-difluorophenyl)methyl]indole
CID 116620611
1-[(4-chlorophenyl)methyl]indole-5-carboxylic acid
CID 63748052
6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]indole
CID 103041483
5-bromo-1-[(3,4-difluorophenyl)methyl]indole
CID 116619662

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[(4-chlorophenyl)methyl]-5-methylindole?
The IUPAC name of 6-bromo-1-[(4-chlorophenyl)methyl]-5-methylindole (CID 118121664) is 6-bromo-1-[(4-chlorophenyl)methyl]-5-methylindole.
What is the SMILES notation for 6-bromo-1-[(4-chlorophenyl)methyl]-5-methylindole?
The canonical SMILES for 6-bromo-1-[(4-chlorophenyl)methyl]-5-methylindole is Cc1cc2ccn(Cc3ccc(Cl)cc3)c2cc1Br.
What is the InChIKey of 6-bromo-1-[(4-chlorophenyl)methyl]-5-methylindole?
The InChIKey is VNASALHGFLWUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClN/c1-11-8-13-6-7-19(16(13)9-15(11)17)10-12-2-4-14(18)5-3-12/h2-9H,10H2,1H3.
What are the key properties of 6-bromo-1-[(4-chlorophenyl)methyl]-5-methylindole?
6-bromo-1-[(4-chlorophenyl)methyl]-5-methylindole has a molecular weight of 334.64 g/mol, XLogP of 5.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[(4-chlorophenyl)methyl]-5-methylindole is sourced from PubChem (CID 118121664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).