4-bromo-1-[(5-chlorothiophen-2-yl)methyl]indole

C13H9BrClNS — CID 116626089

IUPAC4-bromo-1-[(5-chlorothiophen-2-yl)methyl]indole
SMILESClc1ccc(Cn2ccc3c(Br)cccc32)s1
InChIInChI=1S/C13H9BrClNS/c14-11-2-1-3-12-10(11)6-7-16(12)8-9-4-5-13(15)17-9/h1-7H,8H2
InChIKeyUMGRARPYAMELSA-UHFFFAOYSA-N
MW326.65 g/mol
LogP5.17
Rot. Bonds2

About 4-bromo-1-[(5-chlorothiophen-2-yl)methyl]indole

4-bromo-1-[(5-chlorothiophen-2-yl)methyl]indole (PubChem CID 116626089) has the molecular formula C13H9BrClNS and a molecular weight of 326.65 g/mol. Its IUPAC name is 4-bromo-1-[(5-chlorothiophen-2-yl)methyl]indole.

Molecular Properties

Compound Name4-bromo-1-[(5-chlorothiophen-2-yl)methyl]indole
PubChem CID116626089
Molecular FormulaC13H9BrClNS
Molecular Weight326.65 g/mol
Exact Mass324.93
IUPAC Name4-bromo-1-[(5-chlorothiophen-2-yl)methyl]indole
SMILESClc1ccc(Cn2ccc3c(Br)cccc32)s1
InChIInChI=1S/C13H9BrClNS/c14-11-2-1-3-12-10(11)6-7-16(12)8-9-4-5-13(15)17-9/h1-7H,8H2
InChIKeyUMGRARPYAMELSA-UHFFFAOYSA-N
XLogP5.17
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.65
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-chlorothiophen-2-yl)methyl]-N'-hydroxyindole-4-carboximidamide
CID 107919516
4-bromo-1-[(3-chlorophenyl)methyl]indole
CID 116626137
4-bromo-1-[(3,4-dichlorophenyl)methyl]indole
CID 116626065
2-(4-bromoindol-1-yl)ethanol
CID 66827454
4-bromo-1-[(3,4-difluorophenyl)methyl]indole
CID 116625944
1-[(5-chlorothiophen-2-yl)methyl]indol-5-amine
CID 43165363
4-bromo-1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]indole
CID 116626107
3-(4-bromoindol-1-yl)propan-1-ol
CID 66827430
4-bromo-1-[(2-methoxyphenyl)methyl]indole
CID 116626014
4-bromo-1-[(3-bromo-5-fluorophenyl)methyl]indole
CID 116625940
4-bromo-1-[(2-methyltetrazol-5-yl)methyl]indole
CID 107054442
4-bromo-1-[(3-methylimidazol-4-yl)methyl]indole
CID 116626077

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[(5-chlorothiophen-2-yl)methyl]indole?
The IUPAC name of 4-bromo-1-[(5-chlorothiophen-2-yl)methyl]indole (CID 116626089) is 4-bromo-1-[(5-chlorothiophen-2-yl)methyl]indole.
What is the SMILES notation for 4-bromo-1-[(5-chlorothiophen-2-yl)methyl]indole?
The canonical SMILES for 4-bromo-1-[(5-chlorothiophen-2-yl)methyl]indole is Clc1ccc(Cn2ccc3c(Br)cccc32)s1.
What is the InChIKey of 4-bromo-1-[(5-chlorothiophen-2-yl)methyl]indole?
The InChIKey is UMGRARPYAMELSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClNS/c14-11-2-1-3-12-10(11)6-7-16(12)8-9-4-5-13(15)17-9/h1-7H,8H2.
What are the key properties of 4-bromo-1-[(5-chlorothiophen-2-yl)methyl]indole?
4-bromo-1-[(5-chlorothiophen-2-yl)methyl]indole has a molecular weight of 326.65 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[(5-chlorothiophen-2-yl)methyl]indole is sourced from PubChem (CID 116626089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).