[2-(azetidin-3-yl)-4-bromo-1H-imidazol-5-yl]methanamine

C7H11BrN4 — CID 165498313

IUPAC[2-(azetidin-3-yl)-4-bromo-1H-imidazol-5-yl]methanamine
SMILESNCc1[nH]c(C2CNC2)nc1Br
InChIInChI=1S/C7H11BrN4/c8-6-5(1-9)11-7(12-6)4-2-10-3-4/h4,10H,1-3,9H2,(H,11,12)
InChIKeyHVRWLGANNULJRR-UHFFFAOYSA-N
MW231.10 g/mol
LogP0.32
Rot. Bonds2

About [2-(azetidin-3-yl)-4-bromo-1H-imidazol-5-yl]methanamine

[2-(azetidin-3-yl)-4-bromo-1H-imidazol-5-yl]methanamine (PubChem CID 165498313) has the molecular formula C7H11BrN4 and a molecular weight of 231.10 g/mol. Its IUPAC name is [2-(azetidin-3-yl)-4-bromo-1H-imidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(azetidin-3-yl)-4-bromo-1H-imidazol-5-yl]methanamine
PubChem CID165498313
Molecular FormulaC7H11BrN4
Molecular Weight231.10 g/mol
Exact Mass230.02
IUPAC Name[2-(azetidin-3-yl)-4-bromo-1H-imidazol-5-yl]methanamine
SMILESNCc1[nH]c(C2CNC2)nc1Br
InChIInChI=1S/C7H11BrN4/c8-6-5(1-9)11-7(12-6)4-2-10-3-4/h4,10H,1-3,9H2,(H,11,12)
InChIKeyHVRWLGANNULJRR-UHFFFAOYSA-N
XLogP0.32
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.10
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(azetidin-3-yl)-4-bromo-1H-imidazol-5-yl]methanamine?
The IUPAC name of [2-(azetidin-3-yl)-4-bromo-1H-imidazol-5-yl]methanamine (CID 165498313) is [2-(azetidin-3-yl)-4-bromo-1H-imidazol-5-yl]methanamine.
What is the SMILES notation for [2-(azetidin-3-yl)-4-bromo-1H-imidazol-5-yl]methanamine?
The canonical SMILES for [2-(azetidin-3-yl)-4-bromo-1H-imidazol-5-yl]methanamine is NCc1[nH]c(C2CNC2)nc1Br.
What is the InChIKey of [2-(azetidin-3-yl)-4-bromo-1H-imidazol-5-yl]methanamine?
The InChIKey is HVRWLGANNULJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN4/c8-6-5(1-9)11-7(12-6)4-2-10-3-4/h4,10H,1-3,9H2,(H,11,12).
What are the key properties of [2-(azetidin-3-yl)-4-bromo-1H-imidazol-5-yl]methanamine?
[2-(azetidin-3-yl)-4-bromo-1H-imidazol-5-yl]methanamine has a molecular weight of 231.10 g/mol, XLogP of 0.32, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(azetidin-3-yl)-4-bromo-1H-imidazol-5-yl]methanamine is sourced from PubChem (CID 165498313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).