N-(4-bromo-2,6-difluorophenyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine

C13H14BrF2N3O — CID 106574060

IUPACN-(4-bromo-2,6-difluorophenyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
SMILESCOCC(C)n1ccnc1Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C13H14BrF2N3O/c1-8(7-20-2)19-4-3-17-13(19)18-12-10(15)5-9(14)6-11(12)16/h3-6,8H,7H2,1-2H3,(H,17,18)
InChIKeyPYKDGJFVPOINBS-UHFFFAOYSA-N
MW346.18 g/mol
LogP3.87
Rot. Bonds5

About N-(4-bromo-2,6-difluorophenyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine

N-(4-bromo-2,6-difluorophenyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine (PubChem CID 106574060) has the molecular formula C13H14BrF2N3O and a molecular weight of 346.18 g/mol. Its IUPAC name is N-(4-bromo-2,6-difluorophenyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine.

Molecular Properties

Compound NameN-(4-bromo-2,6-difluorophenyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
PubChem CID106574060
Molecular FormulaC13H14BrF2N3O
Molecular Weight346.18 g/mol
Exact Mass345.03
IUPAC NameN-(4-bromo-2,6-difluorophenyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
SMILESCOCC(C)n1ccnc1Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C13H14BrF2N3O/c1-8(7-20-2)19-4-3-17-13(19)18-12-10(15)5-9(14)6-11(12)16/h3-6,8H,7H2,1-2H3,(H,17,18)
InChIKeyPYKDGJFVPOINBS-UHFFFAOYSA-N
XLogP3.87
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4,6-difluorophenyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106578706
N-(4-bromo-2,6-difluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106574062
N,1-bis(1-methoxypropan-2-yl)imidazol-2-amine
CID 106556138
N-(4-tert-butylphenyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106556239
N-(2,2-dimethylpropyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106563648
N-[(3-chloro-4-fluorophenyl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106570194
N-(4-bromo-2,6-difluorophenyl)-1-butylimidazol-2-amine
CID 106574076
N-[1-(1-methoxypropan-2-yl)imidazol-2-yl]-6-(trifluoromethyl)pyridin-3-amine
CID 106578670
N-(cyclopropylmethyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106555195
N-[1-(4-fluorophenyl)propan-2-yl]-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106571697
2-N-[1-(1-methoxypropan-2-yl)imidazol-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 106578621
N-[(5-bromothiophen-2-yl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106575529

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-difluorophenyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine?
The IUPAC name of N-(4-bromo-2,6-difluorophenyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine (CID 106574060) is N-(4-bromo-2,6-difluorophenyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine.
What is the SMILES notation for N-(4-bromo-2,6-difluorophenyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine?
The canonical SMILES for N-(4-bromo-2,6-difluorophenyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine is COCC(C)n1ccnc1Nc1c(F)cc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2,6-difluorophenyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine?
The InChIKey is PYKDGJFVPOINBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrF2N3O/c1-8(7-20-2)19-4-3-17-13(19)18-12-10(15)5-9(14)6-11(12)16/h3-6,8H,7H2,1-2H3,(H,17,18).
What are the key properties of N-(4-bromo-2,6-difluorophenyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine?
N-(4-bromo-2,6-difluorophenyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine has a molecular weight of 346.18 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-difluorophenyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine is sourced from PubChem (CID 106574060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).