1-[2-(5-bromothiophen-2-yl)ethyl]imidazo[4,5-c]pyridin-2-amine

C12H11BrN4S — CID 106036159

IUPAC1-[2-(5-bromothiophen-2-yl)ethyl]imidazo[4,5-c]pyridin-2-amine
SMILESNc1nc2cnccc2n1CCc1ccc(Br)s1
InChIInChI=1S/C12H11BrN4S/c13-11-2-1-8(18-11)4-6-17-10-3-5-15-7-9(10)16-12(17)14/h1-3,5,7H,4,6H2,(H2,14,16)
InChIKeyZJWFFWHOTWTDMT-UHFFFAOYSA-N
MW323.22 g/mol
LogP3.08
Rot. Bonds3

About 1-[2-(5-bromothiophen-2-yl)ethyl]imidazo[4,5-c]pyridin-2-amine

1-[2-(5-bromothiophen-2-yl)ethyl]imidazo[4,5-c]pyridin-2-amine (PubChem CID 106036159) has the molecular formula C12H11BrN4S and a molecular weight of 323.22 g/mol. Its IUPAC name is 1-[2-(5-bromothiophen-2-yl)ethyl]imidazo[4,5-c]pyridin-2-amine.

Molecular Properties

Compound Name1-[2-(5-bromothiophen-2-yl)ethyl]imidazo[4,5-c]pyridin-2-amine
PubChem CID106036159
Molecular FormulaC12H11BrN4S
Molecular Weight323.22 g/mol
Exact Mass321.99
IUPAC Name1-[2-(5-bromothiophen-2-yl)ethyl]imidazo[4,5-c]pyridin-2-amine
SMILESNc1nc2cnccc2n1CCc1ccc(Br)s1
InChIInChI=1S/C12H11BrN4S/c13-11-2-1-8(18-11)4-6-17-10-3-5-15-7-9(10)16-12(17)14/h1-3,5,7H,4,6H2,(H2,14,16)
InChIKeyZJWFFWHOTWTDMT-UHFFFAOYSA-N
XLogP3.08
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-bromothiophen-2-yl)ethyl]imidazo[4,5-c]pyridin-2-amine?
The IUPAC name of 1-[2-(5-bromothiophen-2-yl)ethyl]imidazo[4,5-c]pyridin-2-amine (CID 106036159) is 1-[2-(5-bromothiophen-2-yl)ethyl]imidazo[4,5-c]pyridin-2-amine.
What is the SMILES notation for 1-[2-(5-bromothiophen-2-yl)ethyl]imidazo[4,5-c]pyridin-2-amine?
The canonical SMILES for 1-[2-(5-bromothiophen-2-yl)ethyl]imidazo[4,5-c]pyridin-2-amine is Nc1nc2cnccc2n1CCc1ccc(Br)s1.
What is the InChIKey of 1-[2-(5-bromothiophen-2-yl)ethyl]imidazo[4,5-c]pyridin-2-amine?
The InChIKey is ZJWFFWHOTWTDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4S/c13-11-2-1-8(18-11)4-6-17-10-3-5-15-7-9(10)16-12(17)14/h1-3,5,7H,4,6H2,(H2,14,16).
What are the key properties of 1-[2-(5-bromothiophen-2-yl)ethyl]imidazo[4,5-c]pyridin-2-amine?
1-[2-(5-bromothiophen-2-yl)ethyl]imidazo[4,5-c]pyridin-2-amine has a molecular weight of 323.22 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-bromothiophen-2-yl)ethyl]imidazo[4,5-c]pyridin-2-amine is sourced from PubChem (CID 106036159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).