N-(5-bromo-2-methoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine

C14H16BrN3O — CID 106569082

IUPACN-(5-bromo-2-methoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine
SMILESC=CCn1cc(C)nc1Nc1cc(Br)ccc1OC
InChIInChI=1S/C14H16BrN3O/c1-4-7-18-9-10(2)16-14(18)17-12-8-11(15)5-6-13(12)19-3/h4-6,8-9H,1,7H2,2-3H3,(H,16,17)
InChIKeyDWDMMLNVPNESHX-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.89
Rot. Bonds5

About N-(5-bromo-2-methoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine

N-(5-bromo-2-methoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine (PubChem CID 106569082) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine
PubChem CID106569082
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC NameN-(5-bromo-2-methoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine
SMILESC=CCn1cc(C)nc1Nc1cc(Br)ccc1OC
InChIInChI=1S/C14H16BrN3O/c1-4-7-18-9-10(2)16-14(18)17-12-8-11(15)5-6-13(12)19-3/h4-6,8-9H,1,7H2,2-3H3,(H,16,17)
InChIKeyDWDMMLNVPNESHX-UHFFFAOYSA-N
XLogP3.89
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-2-methoxyphenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106569054
N-(4-fluoro-2-iodophenyl)-4-methyl-1-prop-2-enylimidazol-2-amine
CID 106576421
N-(2-bromo-5-chloro-4-methylphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine
CID 106580684
1-butyl-N-(2-methoxy-5-methylphenyl)-4-methylimidazol-2-amine
CID 106557792
5-methyl-N-(4-methyl-1-prop-2-enylimidazol-2-yl)pyridin-3-amine
CID 107587294
N-(5-bromo-2-methylphenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106562857
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-1-prop-2-enylimidazol-2-amine
CID 106557210
N-(4-ethoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine
CID 106555768
N-[4-bromo-2-(trifluoromethoxy)phenyl]-1-ethyl-4-methylimidazol-2-amine
CID 106583303
N-(4-bromo-2-chlorophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106561203
4-methyl-N-(4-propan-2-yloxyphenyl)-1-prop-2-enylimidazol-2-amine
CID 106560821
N-[4-(difluoromethoxy)phenyl]-4-methyl-1-prop-2-enylimidazol-2-amine
CID 106561159

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine (CID 106569082) is N-(5-bromo-2-methoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine is C=CCn1cc(C)nc1Nc1cc(Br)ccc1OC.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine?
The InChIKey is DWDMMLNVPNESHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-4-7-18-9-10(2)16-14(18)17-12-8-11(15)5-6-13(12)19-3/h4-6,8-9H,1,7H2,2-3H3,(H,16,17).
What are the key properties of N-(5-bromo-2-methoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine?
N-(5-bromo-2-methoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine has a molecular weight of 322.21 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106569082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).