(4-bromo-1H-indol-3-yl)-(3-bromothiophen-2-yl)methanone

C13H7Br2NOS — CID 113292183

IUPAC(4-bromo-1H-indol-3-yl)-(3-bromothiophen-2-yl)methanone
SMILESO=C(c1sccc1Br)c1c[nH]c2cccc(Br)c12
InChIInChI=1S/C13H7Br2NOS/c14-8-2-1-3-10-11(8)7(6-16-10)12(17)13-9(15)4-5-18-13/h1-6,16H
InChIKeyIMFAXWJOLGYVTP-UHFFFAOYSA-N
MW385.08 g/mol
LogP4.99
Rot. Bonds2

About (4-bromo-1H-indol-3-yl)-(3-bromothiophen-2-yl)methanone

(4-bromo-1H-indol-3-yl)-(3-bromothiophen-2-yl)methanone (PubChem CID 113292183) has the molecular formula C13H7Br2NOS and a molecular weight of 385.08 g/mol. Its IUPAC name is (4-bromo-1H-indol-3-yl)-(3-bromothiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-bromo-1H-indol-3-yl)-(3-bromothiophen-2-yl)methanone
PubChem CID113292183
Molecular FormulaC13H7Br2NOS
Molecular Weight385.08 g/mol
Exact Mass382.86
IUPAC Name(4-bromo-1H-indol-3-yl)-(3-bromothiophen-2-yl)methanone
SMILESO=C(c1sccc1Br)c1c[nH]c2cccc(Br)c12
InChIInChI=1S/C13H7Br2NOS/c14-8-2-1-3-10-11(8)7(6-16-10)12(17)13-9(15)4-5-18-13/h1-6,16H
InChIKeyIMFAXWJOLGYVTP-UHFFFAOYSA-N
XLogP4.99
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.08
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromothiophen-2-yl)-(4-methyl-1H-indol-3-yl)methanone
CID 63796678
(3-bromothiophen-2-yl)-(4-ethoxy-1H-indol-3-yl)methanone
CID 83162872
2-(4-bromo-1H-indole-3-carbonyl)benzoic acid
CID 115351658
(5-bromo-1H-indol-3-yl)-(3-bromothiophen-2-yl)methanone
CID 63798607
2-bromo-1-(4-bromo-1H-indol-3-yl)ethanone
CID 115351482
1-(4-bromo-1H-indol-3-yl)-2,2-dimethylpropan-1-one
CID 115351529
(2-amino-5-fluorophenyl)-(4-bromo-1H-indol-3-yl)methanone
CID 115352092
(2-amino-3-chlorophenyl)-(4-bromo-1H-indol-3-yl)methanone
CID 115549855
(3-bromothiophen-2-yl)-(5-methoxy-1H-indol-3-yl)methanone
CID 55239533
2-bromo-1-(4-bromo-1H-indol-3-yl)propan-1-one
CID 115351483
(4-ethoxy-1H-indol-3-yl)-(3-methylthiophen-2-yl)methanone
CID 83163405
(4-bromo-1H-indol-3-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 115351607

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1H-indol-3-yl)-(3-bromothiophen-2-yl)methanone?
The IUPAC name of (4-bromo-1H-indol-3-yl)-(3-bromothiophen-2-yl)methanone (CID 113292183) is (4-bromo-1H-indol-3-yl)-(3-bromothiophen-2-yl)methanone.
What is the SMILES notation for (4-bromo-1H-indol-3-yl)-(3-bromothiophen-2-yl)methanone?
The canonical SMILES for (4-bromo-1H-indol-3-yl)-(3-bromothiophen-2-yl)methanone is O=C(c1sccc1Br)c1c[nH]c2cccc(Br)c12.
What is the InChIKey of (4-bromo-1H-indol-3-yl)-(3-bromothiophen-2-yl)methanone?
The InChIKey is IMFAXWJOLGYVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2NOS/c14-8-2-1-3-10-11(8)7(6-16-10)12(17)13-9(15)4-5-18-13/h1-6,16H.
What are the key properties of (4-bromo-1H-indol-3-yl)-(3-bromothiophen-2-yl)methanone?
(4-bromo-1H-indol-3-yl)-(3-bromothiophen-2-yl)methanone has a molecular weight of 385.08 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1H-indol-3-yl)-(3-bromothiophen-2-yl)methanone is sourced from PubChem (CID 113292183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).