N-[(5-bromo-2-imidazol-1-yl-3-pyridinyl)methyl]ethanamine

C11H13BrN4 — CID 62293805

IUPACN-[(5-bromo-2-imidazol-1-yl-3-pyridinyl)methyl]ethanamine
SMILESCCNCc1cc(Br)cnc1-n1ccnc1
InChIInChI=1S/C11H13BrN4/c1-2-13-6-9-5-10(12)7-15-11(9)16-4-3-14-8-16/h3-5,7-8,13H,2,6H2,1H3
InChIKeyWCHBNSRHHJNAAW-UHFFFAOYSA-N
MW281.16 g/mol
LogP2.14
Rot. Bonds4

About N-[(5-bromo-2-imidazol-1-yl-3-pyridinyl)methyl]ethanamine

N-[(5-bromo-2-imidazol-1-yl-3-pyridinyl)methyl]ethanamine (PubChem CID 62293805) has the molecular formula C11H13BrN4 and a molecular weight of 281.16 g/mol. Its IUPAC name is N-[(5-bromo-2-imidazol-1-yl-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-imidazol-1-yl-3-pyridinyl)methyl]ethanamine
PubChem CID62293805
Molecular FormulaC11H13BrN4
Molecular Weight281.16 g/mol
Exact Mass280.03
IUPAC NameN-[(5-bromo-2-imidazol-1-yl-3-pyridinyl)methyl]ethanamine
SMILESCCNCc1cc(Br)cnc1-n1ccnc1
InChIInChI=1S/C11H13BrN4/c1-2-13-6-9-5-10(12)7-15-11(9)16-4-3-14-8-16/h3-5,7-8,13H,2,6H2,1H3
InChIKeyWCHBNSRHHJNAAW-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-bromo-2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]ethanamine
CID 62279135
N-[(5-imidazol-1-ylpyrazin-2-yl)methyl]ethanamine
CID 107381127
N-[[5-bromo-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]ethanamine
CID 62888353
1-[5-bromo-3-(ethylaminomethyl)-2-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81470154
N-[(1-imidazol-1-ylisoquinolin-4-yl)methyl]propan-1-amine
CID 106777122
N-[(5-bromo-2-pyrazol-1-yl-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62294142
N-[[5-bromo-2-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 62281203
N-[[5-bromo-2-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62294110
5-bromo-3-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine
CID 62278735
5-bromo-3-(ethylaminomethyl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 62287274
5-bromo-N-[(4-bromophenyl)methyl]-3-(ethylaminomethyl)-N-methylpyridin-2-amine
CID 62288203
5-bromo-3-(ethylaminomethyl)-N-methyl-N-(4-methylcyclohexyl)pyridin-2-amine
CID 62287100

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-imidazol-1-yl-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(5-bromo-2-imidazol-1-yl-3-pyridinyl)methyl]ethanamine (CID 62293805) is N-[(5-bromo-2-imidazol-1-yl-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromo-2-imidazol-1-yl-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromo-2-imidazol-1-yl-3-pyridinyl)methyl]ethanamine is CCNCc1cc(Br)cnc1-n1ccnc1.
What is the InChIKey of N-[(5-bromo-2-imidazol-1-yl-3-pyridinyl)methyl]ethanamine?
The InChIKey is WCHBNSRHHJNAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4/c1-2-13-6-9-5-10(12)7-15-11(9)16-4-3-14-8-16/h3-5,7-8,13H,2,6H2,1H3.
What are the key properties of N-[(5-bromo-2-imidazol-1-yl-3-pyridinyl)methyl]ethanamine?
N-[(5-bromo-2-imidazol-1-yl-3-pyridinyl)methyl]ethanamine has a molecular weight of 281.16 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-imidazol-1-yl-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 62293805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).