N-(3-bromo-5-methoxyphenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine

C15H20BrN3O2 — CID 106579325

IUPACN-(3-bromo-5-methoxyphenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
SMILESCOCC(C)n1cc(C)nc1Nc1cc(Br)cc(OC)c1
InChIInChI=1S/C15H20BrN3O2/c1-10-8-19(11(2)9-20-3)15(17-10)18-13-5-12(16)6-14(7-13)21-4/h5-8,11H,9H2,1-4H3,(H,17,18)
InChIKeySNGYAWJZLFTUQD-UHFFFAOYSA-N
MW354.25 g/mol
LogP3.91
Rot. Bonds6

About N-(3-bromo-5-methoxyphenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine

N-(3-bromo-5-methoxyphenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine (PubChem CID 106579325) has the molecular formula C15H20BrN3O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is N-(3-bromo-5-methoxyphenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-(3-bromo-5-methoxyphenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
PubChem CID106579325
Molecular FormulaC15H20BrN3O2
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC NameN-(3-bromo-5-methoxyphenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
SMILESCOCC(C)n1cc(C)nc1Nc1cc(Br)cc(OC)c1
InChIInChI=1S/C15H20BrN3O2/c1-10-8-19(11(2)9-20-3)15(17-10)18-13-5-12(16)6-14(7-13)21-4/h5-8,11H,9H2,1-4H3,(H,17,18)
InChIKeySNGYAWJZLFTUQD-UHFFFAOYSA-N
XLogP3.91
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-difluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106559723
N-(4-bromo-2,6-difluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106574062
N-(4-fluoro-3-methoxyphenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106583313
1-(1-methoxypropan-2-yl)-4-methyl-N-(4-propan-2-ylphenyl)imidazol-2-amine
CID 106557337
N-(2-bromo-5-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 107628417
1-(1-methoxypropan-2-yl)-4-methyl-N-(3-methylbutan-2-yl)imidazol-2-amine
CID 106554321
N-(4-bromo-5-fluoro-2-methylphenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106582279
N-(1-methoxy-3-methylbutan-2-yl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106575059
1-(1-methoxypropan-2-yl)-4-methyl-N-propylimidazol-2-amine
CID 106554728
1-(1-methoxypropan-2-yl)-4-methyl-N-(2-methylpyrazol-3-yl)imidazol-2-amine
CID 106565839
1-(1-methoxypropan-2-yl)-4-methyl-N-(4-methylpentan-2-yl)imidazol-2-amine
CID 106561678
5-N-(3-bromo-5-methoxyphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 82857326

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methoxyphenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
The IUPAC name of N-(3-bromo-5-methoxyphenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine (CID 106579325) is N-(3-bromo-5-methoxyphenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine.
What is the SMILES notation for N-(3-bromo-5-methoxyphenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
The canonical SMILES for N-(3-bromo-5-methoxyphenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine is COCC(C)n1cc(C)nc1Nc1cc(Br)cc(OC)c1.
What is the InChIKey of N-(3-bromo-5-methoxyphenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
The InChIKey is SNGYAWJZLFTUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2/c1-10-8-19(11(2)9-20-3)15(17-10)18-13-5-12(16)6-14(7-13)21-4/h5-8,11H,9H2,1-4H3,(H,17,18).
What are the key properties of N-(3-bromo-5-methoxyphenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
N-(3-bromo-5-methoxyphenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine has a molecular weight of 354.25 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methoxyphenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106579325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).