N-(2-bromo-5-methoxyphenyl)-1-cyclopropyl-4-methylimidazol-2-amine

C14H16BrN3O — CID 106574191

IUPACN-(2-bromo-5-methoxyphenyl)-1-cyclopropyl-4-methylimidazol-2-amine
SMILESCOc1ccc(Br)c(Nc2nc(C)cn2C2CC2)c1
InChIInChI=1S/C14H16BrN3O/c1-9-8-18(10-3-4-10)14(16-9)17-13-7-11(19-2)5-6-12(13)15/h5-8,10H,3-4H2,1-2H3,(H,16,17)
InChIKeyHMZPXJBNZUGRPY-UHFFFAOYSA-N
MW322.21 g/mol
LogP4.04
Rot. Bonds4

About N-(2-bromo-5-methoxyphenyl)-1-cyclopropyl-4-methylimidazol-2-amine

N-(2-bromo-5-methoxyphenyl)-1-cyclopropyl-4-methylimidazol-2-amine (PubChem CID 106574191) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is N-(2-bromo-5-methoxyphenyl)-1-cyclopropyl-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-(2-bromo-5-methoxyphenyl)-1-cyclopropyl-4-methylimidazol-2-amine
PubChem CID106574191
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC NameN-(2-bromo-5-methoxyphenyl)-1-cyclopropyl-4-methylimidazol-2-amine
SMILESCOc1ccc(Br)c(Nc2nc(C)cn2C2CC2)c1
InChIInChI=1S/C14H16BrN3O/c1-9-8-18(10-3-4-10)14(16-9)17-13-7-11(19-2)5-6-12(13)15/h5-8,10H,3-4H2,1-2H3,(H,16,17)
InChIKeyHMZPXJBNZUGRPY-UHFFFAOYSA-N
XLogP4.04
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-methylphenyl)-1-cyclopropyl-4-methylimidazol-2-amine
CID 106560892
N-(4-bromo-3-methylphenyl)-1-cyclohexyl-4-methylimidazol-2-amine
CID 106557012
1-cyclopentyl-N-[(3-methoxyphenyl)methyl]-4-methylimidazol-2-amine
CID 106563505
1-cyclopropyl-4-methyl-N-naphthalen-2-ylimidazol-2-amine
CID 106565468
1-cyclopropyl-N-(4-fluoro-2-iodophenyl)-4-methylimidazol-2-amine
CID 106576412
N-(3-bromo-4-methylphenyl)-1-cyclohexyl-4-methylimidazol-2-amine
CID 106572988
2-bromo-5-methoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82892845
1-cyclohexyl-4-methyl-N-(2-methylphenyl)imidazol-2-amine
CID 106560556
2-bromo-N-cyclopropyl-5-methoxyaniline
CID 103439281
1-cyclopentyl-N-(5-fluoro-2-methylphenyl)-4-methylimidazol-2-amine
CID 106559274
N-(2,5-dibromophenyl)-1,4-dimethylimidazol-2-amine
CID 106566384
3-bromo-1-cyclopropyl-5-methoxyindole
CID 115049436

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methoxyphenyl)-1-cyclopropyl-4-methylimidazol-2-amine?
The IUPAC name of N-(2-bromo-5-methoxyphenyl)-1-cyclopropyl-4-methylimidazol-2-amine (CID 106574191) is N-(2-bromo-5-methoxyphenyl)-1-cyclopropyl-4-methylimidazol-2-amine.
What is the SMILES notation for N-(2-bromo-5-methoxyphenyl)-1-cyclopropyl-4-methylimidazol-2-amine?
The canonical SMILES for N-(2-bromo-5-methoxyphenyl)-1-cyclopropyl-4-methylimidazol-2-amine is COc1ccc(Br)c(Nc2nc(C)cn2C2CC2)c1.
What is the InChIKey of N-(2-bromo-5-methoxyphenyl)-1-cyclopropyl-4-methylimidazol-2-amine?
The InChIKey is HMZPXJBNZUGRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-9-8-18(10-3-4-10)14(16-9)17-13-7-11(19-2)5-6-12(13)15/h5-8,10H,3-4H2,1-2H3,(H,16,17).
What are the key properties of N-(2-bromo-5-methoxyphenyl)-1-cyclopropyl-4-methylimidazol-2-amine?
N-(2-bromo-5-methoxyphenyl)-1-cyclopropyl-4-methylimidazol-2-amine has a molecular weight of 322.21 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methoxyphenyl)-1-cyclopropyl-4-methylimidazol-2-amine is sourced from PubChem (CID 106574191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).