5-bromo-1-[(2,4,6-trimethylphenyl)methyl]indole

C18H18BrN — CID 116619570

IUPAC5-bromo-1-[(2,4,6-trimethylphenyl)methyl]indole
SMILESCc1cc(C)c(Cn2ccc3cc(Br)ccc32)c(C)c1
InChIInChI=1S/C18H18BrN/c1-12-8-13(2)17(14(3)9-12)11-20-7-6-15-10-16(19)4-5-18(15)20/h4-10H,11H2,1-3H3
InChIKeyIVNUQNSULMQRAL-UHFFFAOYSA-N
MW328.25 g/mol
LogP5.38
Rot. Bonds2

About 5-bromo-1-[(2,4,6-trimethylphenyl)methyl]indole

5-bromo-1-[(2,4,6-trimethylphenyl)methyl]indole (PubChem CID 116619570) has the molecular formula C18H18BrN and a molecular weight of 328.25 g/mol. Its IUPAC name is 5-bromo-1-[(2,4,6-trimethylphenyl)methyl]indole.

Molecular Properties

Compound Name5-bromo-1-[(2,4,6-trimethylphenyl)methyl]indole
PubChem CID116619570
Molecular FormulaC18H18BrN
Molecular Weight328.25 g/mol
Exact Mass327.06
IUPAC Name5-bromo-1-[(2,4,6-trimethylphenyl)methyl]indole
SMILESCc1cc(C)c(Cn2ccc3cc(Br)ccc32)c(C)c1
InChIInChI=1S/C18H18BrN/c1-12-8-13(2)17(14(3)9-12)11-20-7-6-15-10-16(19)4-5-18(15)20/h4-10H,11H2,1-3H3
InChIKeyIVNUQNSULMQRAL-UHFFFAOYSA-N
XLogP5.38
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.25
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-1-[(4-ethylphenyl)methyl]indole
CID 116619733
2-(5-bromoindol-1-yl)-1-(2,4-dimethylphenyl)ethanone
CID 63567580
2-[(5-bromoindol-1-yl)methyl]-3,5-dimethylpyridin-4-amine
CID 103182727
5-[(5-bromoindol-1-yl)methyl]-3-methyl-1,2-oxazole
CID 116619491
5-bromo-1-[(3-methoxyphenyl)methyl]indole
CID 116619594
5-bromo-1-[(3,5-difluorophenyl)methyl]indole
CID 105409253
1-[(2,4,6-trimethylphenyl)methyl]indole-6-carbaldehyde
CID 102910928
5-bromo-1-[(3,4-dimethoxyphenyl)methyl]indole
CID 116619663
5-bromo-1-[(3,4-difluorophenyl)methyl]indole
CID 116619662
5-bromo-1-[(6-methoxy-2-pyridinyl)methyl]indole
CID 116619644
5-bromo-1-[(3-bromo-4-methoxyphenyl)methyl]indole
CID 116619613
5-bromo-1-[(3-fluorophenyl)methyl]indole
CID 4284704

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(2,4,6-trimethylphenyl)methyl]indole?
The IUPAC name of 5-bromo-1-[(2,4,6-trimethylphenyl)methyl]indole (CID 116619570) is 5-bromo-1-[(2,4,6-trimethylphenyl)methyl]indole.
What is the SMILES notation for 5-bromo-1-[(2,4,6-trimethylphenyl)methyl]indole?
The canonical SMILES for 5-bromo-1-[(2,4,6-trimethylphenyl)methyl]indole is Cc1cc(C)c(Cn2ccc3cc(Br)ccc32)c(C)c1.
What is the InChIKey of 5-bromo-1-[(2,4,6-trimethylphenyl)methyl]indole?
The InChIKey is IVNUQNSULMQRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN/c1-12-8-13(2)17(14(3)9-12)11-20-7-6-15-10-16(19)4-5-18(15)20/h4-10H,11H2,1-3H3.
What are the key properties of 5-bromo-1-[(2,4,6-trimethylphenyl)methyl]indole?
5-bromo-1-[(2,4,6-trimethylphenyl)methyl]indole has a molecular weight of 328.25 g/mol, XLogP of 5.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(2,4,6-trimethylphenyl)methyl]indole is sourced from PubChem (CID 116619570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).