5-[3-[2-(5-bromothiophen-2-yl)ethyl]imidazol-4-yl]pyridin-2-amine

C14H13BrN4S — CID 106041274

IUPAC5-[3-[2-(5-bromothiophen-2-yl)ethyl]imidazol-4-yl]pyridin-2-amine
SMILESNc1ccc(-c2cncn2CCc2ccc(Br)s2)cn1
InChIInChI=1S/C14H13BrN4S/c15-13-3-2-11(20-13)5-6-19-9-17-8-12(19)10-1-4-14(16)18-7-10/h1-4,7-9H,5-6H2,(H2,16,18)
InChIKeyOEMRFUKVMHPPAM-UHFFFAOYSA-N
MW349.26 g/mol
LogP3.59
Rot. Bonds4

About 5-[3-[2-(5-bromothiophen-2-yl)ethyl]imidazol-4-yl]pyridin-2-amine

5-[3-[2-(5-bromothiophen-2-yl)ethyl]imidazol-4-yl]pyridin-2-amine (PubChem CID 106041274) has the molecular formula C14H13BrN4S and a molecular weight of 349.26 g/mol. Its IUPAC name is 5-[3-[2-(5-bromothiophen-2-yl)ethyl]imidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-[2-(5-bromothiophen-2-yl)ethyl]imidazol-4-yl]pyridin-2-amine
PubChem CID106041274
Molecular FormulaC14H13BrN4S
Molecular Weight349.26 g/mol
Exact Mass348.00
IUPAC Name5-[3-[2-(5-bromothiophen-2-yl)ethyl]imidazol-4-yl]pyridin-2-amine
SMILESNc1ccc(-c2cncn2CCc2ccc(Br)s2)cn1
InChIInChI=1S/C14H13BrN4S/c15-13-3-2-11(20-13)5-6-19-9-17-8-12(19)10-1-4-14(16)18-7-10/h1-4,7-9H,5-6H2,(H2,16,18)
InChIKeyOEMRFUKVMHPPAM-UHFFFAOYSA-N
XLogP3.59
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.26
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-(5-bromothiophen-2-yl)ethyl]imidazol-4-yl]pyridin-2-amine?
The IUPAC name of 5-[3-[2-(5-bromothiophen-2-yl)ethyl]imidazol-4-yl]pyridin-2-amine (CID 106041274) is 5-[3-[2-(5-bromothiophen-2-yl)ethyl]imidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 5-[3-[2-(5-bromothiophen-2-yl)ethyl]imidazol-4-yl]pyridin-2-amine?
The canonical SMILES for 5-[3-[2-(5-bromothiophen-2-yl)ethyl]imidazol-4-yl]pyridin-2-amine is Nc1ccc(-c2cncn2CCc2ccc(Br)s2)cn1.
What is the InChIKey of 5-[3-[2-(5-bromothiophen-2-yl)ethyl]imidazol-4-yl]pyridin-2-amine?
The InChIKey is OEMRFUKVMHPPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4S/c15-13-3-2-11(20-13)5-6-19-9-17-8-12(19)10-1-4-14(16)18-7-10/h1-4,7-9H,5-6H2,(H2,16,18).
What are the key properties of 5-[3-[2-(5-bromothiophen-2-yl)ethyl]imidazol-4-yl]pyridin-2-amine?
5-[3-[2-(5-bromothiophen-2-yl)ethyl]imidazol-4-yl]pyridin-2-amine has a molecular weight of 349.26 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-(5-bromothiophen-2-yl)ethyl]imidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 106041274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).