N-[1-(5-bromo-1H-imidazol-2-yl)ethyl]propan-1-amine

C8H14BrN3 — CID 123282366

IUPACN-[1-(5-bromo-1H-imidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1ncc(Br)[nH]1
InChIInChI=1S/C8H14BrN3/c1-3-4-10-6(2)8-11-5-7(9)12-8/h5-6,10H,3-4H2,1-2H3,(H,11,12)
InChIKeyOWZRNXMQHFNYNX-UHFFFAOYSA-N
MW232.12 g/mol
LogP2.23
Rot. Bonds4

About N-[1-(5-bromo-1H-imidazol-2-yl)ethyl]propan-1-amine

N-[1-(5-bromo-1H-imidazol-2-yl)ethyl]propan-1-amine (PubChem CID 123282366) has the molecular formula C8H14BrN3 and a molecular weight of 232.12 g/mol. Its IUPAC name is N-[1-(5-bromo-1H-imidazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-bromo-1H-imidazol-2-yl)ethyl]propan-1-amine
PubChem CID123282366
Molecular FormulaC8H14BrN3
Molecular Weight232.12 g/mol
Exact Mass231.04
IUPAC NameN-[1-(5-bromo-1H-imidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1ncc(Br)[nH]1
InChIInChI=1S/C8H14BrN3/c1-3-4-10-6(2)8-11-5-7(9)12-8/h5-6,10H,3-4H2,1-2H3,(H,11,12)
InChIKeyOWZRNXMQHFNYNX-UHFFFAOYSA-N
XLogP2.23
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.12
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]propan-1-amine
CID 63024140
1-(5-bromo-1H-imidazol-2-yl)-2-methylpropan-1-amine
CID 18934579
2-(5-bromo-1H-imidazol-2-yl)-3-methylbutan-1-amine
CID 116835015
3-(5-bromopyrimidin-2-yl)-N-propylbutan-2-amine
CID 63873435
5-bromo-6-[1-(propylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 62375404
N-methyl-N-(3-methylbutan-2-yl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 62750951
1-(5-bromo-1H-imidazol-2-yl)propan-2-amine
CID 83881752
N-[1-(4-bromo-1-propylpyrazol-5-yl)ethyl]propan-1-amine
CID 114647831
N-[1-[5-(4-bromophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183078
N-[1-(4,5-difluoro-1H-benzimidazol-2-yl)ethyl]propan-1-amine
CID 112556921
N-[1-(2-bromo-3-methylphenyl)ethyl]propan-1-amine
CID 107984713
4-(5-bromo-2-pyridinyl)-N-propylbutan-2-amine
CID 104799854

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-1H-imidazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(5-bromo-1H-imidazol-2-yl)ethyl]propan-1-amine (CID 123282366) is N-[1-(5-bromo-1H-imidazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(5-bromo-1H-imidazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(5-bromo-1H-imidazol-2-yl)ethyl]propan-1-amine is CCCNC(C)c1ncc(Br)[nH]1.
What is the InChIKey of N-[1-(5-bromo-1H-imidazol-2-yl)ethyl]propan-1-amine?
The InChIKey is OWZRNXMQHFNYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrN3/c1-3-4-10-6(2)8-11-5-7(9)12-8/h5-6,10H,3-4H2,1-2H3,(H,11,12).
What are the key properties of N-[1-(5-bromo-1H-imidazol-2-yl)ethyl]propan-1-amine?
N-[1-(5-bromo-1H-imidazol-2-yl)ethyl]propan-1-amine has a molecular weight of 232.12 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-1H-imidazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 123282366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).