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

C15H20BrN3 — CID 106557033

IUPAC1-(4-bromo-3-methylphenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine
SMILESCc1cn(-c2ccc(Br)c(C)c2)c(NCC(C)C)n1
InChIInChI=1S/C15H20BrN3/c1-10(2)8-17-15-18-12(4)9-19(15)13-5-6-14(16)11(3)7-13/h5-7,9-10H,8H2,1-4H3,(H,17,18)
InChIKeySDRXMJJXNKAHCW-UHFFFAOYSA-N
MW322.25 g/mol
LogP4.32
Rot. Bonds4

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

1-(4-bromo-3-methylphenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine (PubChem CID 106557033) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine
PubChem CID106557033
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name1-(4-bromo-3-methylphenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine
SMILESCc1cn(-c2ccc(Br)c(C)c2)c(NCC(C)C)n1
InChIInChI=1S/C15H20BrN3/c1-10(2)8-17-15-18-12(4)9-19(15)13-5-6-14(16)11(3)7-13/h5-7,9-10H,8H2,1-4H3,(H,17,18)
InChIKeySDRXMJJXNKAHCW-UHFFFAOYSA-N
XLogP4.32
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 ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dibromophenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106566394
4-methyl-N-(2-methylpropyl)-1-phenylimidazol-2-amine
CID 106554707
1-(2-bromo-5-chlorophenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106577963
1-(4-chloro-3-fluorophenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106567700
1-(5-bromo-2,4-difluorophenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106583054
1-(4-bromo-3-methylphenyl)-4-methylimidazol-2-amine
CID 106557045
1-(3-bromo-4-fluorophenyl)-N-butyl-4-methylimidazol-2-amine
CID 106581546
1-(3-chloro-4-methylphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106555469
1-(4-bromo-3,5-dimethylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine
CID 107581499
1-ethyl-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106554987
1-(4-bromo-3-chlorophenyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 107618219
N-[[1-(4-bromo-3-methylphenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66206898

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine (CID 106557033) is 1-(4-bromo-3-methylphenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine is Cc1cn(-c2ccc(Br)c(C)c2)c(NCC(C)C)n1.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine?
The InChIKey is SDRXMJJXNKAHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-10(2)8-17-15-18-12(4)9-19(15)13-5-6-14(16)11(3)7-13/h5-7,9-10H,8H2,1-4H3,(H,17,18).
What are the key properties of 1-(4-bromo-3-methylphenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine?
1-(4-bromo-3-methylphenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine has a molecular weight of 322.25 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine is sourced from PubChem (CID 106557033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).