5-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine

C11H13BrN4 — CID 61210542

IUPAC5-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine
SMILESCn1ccnc1CCNc1ccc(Br)cn1
InChIInChI=1S/C11H13BrN4/c1-16-7-6-14-11(16)4-5-13-10-3-2-9(12)8-15-10/h2-3,6-8H,4-5H2,1H3,(H,13,15)
InChIKeyUSACICMDABPXEI-UHFFFAOYSA-N
MW281.16 g/mol
LogP2.23
Rot. Bonds4

About 5-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine

5-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine (PubChem CID 61210542) has the molecular formula C11H13BrN4 and a molecular weight of 281.16 g/mol. Its IUPAC name is 5-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine
PubChem CID61210542
Molecular FormulaC11H13BrN4
Molecular Weight281.16 g/mol
Exact Mass280.03
IUPAC Name5-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine
SMILESCn1ccnc1CCNc1ccc(Br)cn1
InChIInChI=1S/C11H13BrN4/c1-16-7-6-14-11(16)4-5-13-10-3-2-9(12)8-15-10/h2-3,6-8H,4-5H2,1H3,(H,13,15)
InChIKeyUSACICMDABPXEI-UHFFFAOYSA-N
XLogP2.23
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
CID 63330454
4-bromo-2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527453
5-bromo-N-(2-pyridin-4-ylethyl)pyridin-2-amine
CID 60904047
5-bromo-2-[(1-methylimidazol-2-yl)methylsulfanyl]pyridine
CID 71392356
6-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine
CID 63587851
2-[2-(4-bromophenyl)ethyl]-1-methylimidazole
CID 82486543
5-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-2-amine
CID 79556038
2,6-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527594
4-iodo-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527511
5-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 63295615
5-chloro-2-[2-(1-methylimidazol-2-yl)ethylamino]pyridine-4-carboxylic acid
CID 114919507
1,1-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 114527728

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine (CID 61210542) is 5-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine is Cn1ccnc1CCNc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine?
The InChIKey is USACICMDABPXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4/c1-16-7-6-14-11(16)4-5-13-10-3-2-9(12)8-15-10/h2-3,6-8H,4-5H2,1H3,(H,13,15).
What are the key properties of 5-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine?
5-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine has a molecular weight of 281.16 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 61210542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).