1-(2-bromo-5-methylphenyl)-N-cyclopropylimidazol-2-amine

C13H14BrN3 — CID 106578937

IUPAC1-(2-bromo-5-methylphenyl)-N-cyclopropylimidazol-2-amine
SMILESCc1ccc(Br)c(-n2ccnc2NC2CC2)c1
InChIInChI=1S/C13H14BrN3/c1-9-2-5-11(14)12(8-9)17-7-6-15-13(17)16-10-3-4-10/h2,5-8,10H,3-4H2,1H3,(H,15,16)
InChIKeyHFEDVRBDUYPEIH-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.52
Rot. Bonds3

About 1-(2-bromo-5-methylphenyl)-N-cyclopropylimidazol-2-amine

1-(2-bromo-5-methylphenyl)-N-cyclopropylimidazol-2-amine (PubChem CID 106578937) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is 1-(2-bromo-5-methylphenyl)-N-cyclopropylimidazol-2-amine.

Molecular Properties

Compound Name1-(2-bromo-5-methylphenyl)-N-cyclopropylimidazol-2-amine
PubChem CID106578937
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC Name1-(2-bromo-5-methylphenyl)-N-cyclopropylimidazol-2-amine
SMILESCc1ccc(Br)c(-n2ccnc2NC2CC2)c1
InChIInChI=1S/C13H14BrN3/c1-9-2-5-11(14)12(8-9)17-7-6-15-13(17)16-10-3-4-10/h2,5-8,10H,3-4H2,1H3,(H,15,16)
InChIKeyHFEDVRBDUYPEIH-UHFFFAOYSA-N
XLogP3.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methylphenyl)-N-cyclopropylimidazol-2-amine?
The IUPAC name of 1-(2-bromo-5-methylphenyl)-N-cyclopropylimidazol-2-amine (CID 106578937) is 1-(2-bromo-5-methylphenyl)-N-cyclopropylimidazol-2-amine.
What is the SMILES notation for 1-(2-bromo-5-methylphenyl)-N-cyclopropylimidazol-2-amine?
The canonical SMILES for 1-(2-bromo-5-methylphenyl)-N-cyclopropylimidazol-2-amine is Cc1ccc(Br)c(-n2ccnc2NC2CC2)c1.
What is the InChIKey of 1-(2-bromo-5-methylphenyl)-N-cyclopropylimidazol-2-amine?
The InChIKey is HFEDVRBDUYPEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c1-9-2-5-11(14)12(8-9)17-7-6-15-13(17)16-10-3-4-10/h2,5-8,10H,3-4H2,1H3,(H,15,16).
What are the key properties of 1-(2-bromo-5-methylphenyl)-N-cyclopropylimidazol-2-amine?
1-(2-bromo-5-methylphenyl)-N-cyclopropylimidazol-2-amine has a molecular weight of 292.18 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methylphenyl)-N-cyclopropylimidazol-2-amine is sourced from PubChem (CID 106578937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).