N-(3-bromo-4-methoxyphenyl)-1-cyclohexylimidazol-2-amine

C16H20BrN3O — CID 106573937

IUPACN-(3-bromo-4-methoxyphenyl)-1-cyclohexylimidazol-2-amine
SMILESCOc1ccc(Nc2nccn2C2CCCCC2)cc1Br
InChIInChI=1S/C16H20BrN3O/c1-21-15-8-7-12(11-14(15)17)19-16-18-9-10-20(16)13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,18,19)
InChIKeyRWTKPYACYOCDAT-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.90
Rot. Bonds4

About N-(3-bromo-4-methoxyphenyl)-1-cyclohexylimidazol-2-amine

N-(3-bromo-4-methoxyphenyl)-1-cyclohexylimidazol-2-amine (PubChem CID 106573937) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is N-(3-bromo-4-methoxyphenyl)-1-cyclohexylimidazol-2-amine.

Molecular Properties

Compound NameN-(3-bromo-4-methoxyphenyl)-1-cyclohexylimidazol-2-amine
PubChem CID106573937
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC NameN-(3-bromo-4-methoxyphenyl)-1-cyclohexylimidazol-2-amine
SMILESCOc1ccc(Nc2nccn2C2CCCCC2)cc1Br
InChIInChI=1S/C16H20BrN3O/c1-21-15-8-7-12(11-14(15)17)19-16-18-9-10-20(16)13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,18,19)
InChIKeyRWTKPYACYOCDAT-UHFFFAOYSA-N
XLogP4.90
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-1-cyclohexylimidazol-2-amine
CID 106558625
N-(3-bromo-4-methoxyphenyl)-1-methylimidazol-2-amine
CID 106573944
N-(3-bromo-4-methoxyphenyl)-1-propan-2-ylimidazol-2-amine
CID 106573915
1-cyclopentyl-N-(2-methoxyphenyl)imidazol-2-amine
CID 106555719
1-cyclopentyl-N-(2,6-dibromophenyl)imidazol-2-amine
CID 107605114
1-cyclopentyl-N-(4-fluorophenyl)imidazol-2-amine
CID 106558725
N-(2-bromo-4-methylphenyl)-1-cyclopentylimidazol-2-amine
CID 106555665
3-bromo-N-cyclopentyl-4-methoxyaniline
CID 63999867
1-cyclopropyl-N-(3-fluoro-4-methylphenyl)imidazol-2-amine
CID 106559430
N-(4-bromo-3-methoxyphenyl)-1-methylimidazol-2-amine
CID 106579210
N-(4-bromo-2,3-dichlorophenyl)-1-cyclopentylimidazol-2-amine
CID 107795932
N-(2-bromo-4,6-difluorophenyl)-1-cyclopentylimidazol-2-amine
CID 106561364

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methoxyphenyl)-1-cyclohexylimidazol-2-amine?
The IUPAC name of N-(3-bromo-4-methoxyphenyl)-1-cyclohexylimidazol-2-amine (CID 106573937) is N-(3-bromo-4-methoxyphenyl)-1-cyclohexylimidazol-2-amine.
What is the SMILES notation for N-(3-bromo-4-methoxyphenyl)-1-cyclohexylimidazol-2-amine?
The canonical SMILES for N-(3-bromo-4-methoxyphenyl)-1-cyclohexylimidazol-2-amine is COc1ccc(Nc2nccn2C2CCCCC2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methoxyphenyl)-1-cyclohexylimidazol-2-amine?
The InChIKey is RWTKPYACYOCDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-21-15-8-7-12(11-14(15)17)19-16-18-9-10-20(16)13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,18,19).
What are the key properties of N-(3-bromo-4-methoxyphenyl)-1-cyclohexylimidazol-2-amine?
N-(3-bromo-4-methoxyphenyl)-1-cyclohexylimidazol-2-amine has a molecular weight of 350.26 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methoxyphenyl)-1-cyclohexylimidazol-2-amine is sourced from PubChem (CID 106573937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).