N-(3-bromo-5-methylphenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine

C15H20BrN3 — CID 107581439

IUPACN-(3-bromo-5-methylphenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine
SMILESCc1cc(Br)cc(Nc2nc(C)cn2CC(C)C)c1
InChIInChI=1S/C15H20BrN3/c1-10(2)8-19-9-12(4)17-15(19)18-14-6-11(3)5-13(16)7-14/h5-7,9-10H,8H2,1-4H3,(H,17,18)
InChIKeyIEFYZJKCMSFOGN-UHFFFAOYSA-N
MW322.25 g/mol
LogP4.66
Rot. Bonds4

About N-(3-bromo-5-methylphenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine

N-(3-bromo-5-methylphenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine (PubChem CID 107581439) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine
PubChem CID107581439
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC NameN-(3-bromo-5-methylphenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine
SMILESCc1cc(Br)cc(Nc2nc(C)cn2CC(C)C)c1
InChIInChI=1S/C15H20BrN3/c1-10(2)8-19-9-12(4)17-15(19)18-14-6-11(3)5-13(16)7-14/h5-7,9-10H,8H2,1-4H3,(H,17,18)
InChIKeyIEFYZJKCMSFOGN-UHFFFAOYSA-N
XLogP4.66
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine?
The IUPAC name of N-(3-bromo-5-methylphenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine (CID 107581439) is N-(3-bromo-5-methylphenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine is Cc1cc(Br)cc(Nc2nc(C)cn2CC(C)C)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine?
The InChIKey is IEFYZJKCMSFOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-10(2)8-19-9-12(4)17-15(19)18-14-6-11(3)5-13(16)7-14/h5-7,9-10H,8H2,1-4H3,(H,17,18).
What are the key properties of N-(3-bromo-5-methylphenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine?
N-(3-bromo-5-methylphenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine has a molecular weight of 322.25 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine is sourced from PubChem (CID 107581439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).