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

C14H15BrClN3 — CID 106580684

IUPACN-(2-bromo-5-chloro-4-methylphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine
SMILESC=CCn1cc(C)nc1Nc1cc(Cl)c(C)cc1Br
InChIInChI=1S/C14H15BrClN3/c1-4-5-19-8-10(3)17-14(19)18-13-7-12(16)9(2)6-11(13)15/h4,6-8H,1,5H2,2-3H3,(H,17,18)
InChIKeyJOLQYVRJSRYNBO-UHFFFAOYSA-N
MW340.65 g/mol
LogP4.85
Rot. Bonds4

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

N-(2-bromo-5-chloro-4-methylphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine (PubChem CID 106580684) has the molecular formula C14H15BrClN3 and a molecular weight of 340.65 g/mol. Its IUPAC name is N-(2-bromo-5-chloro-4-methylphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound NameN-(2-bromo-5-chloro-4-methylphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine
PubChem CID106580684
Molecular FormulaC14H15BrClN3
Molecular Weight340.65 g/mol
Exact Mass339.01
IUPAC NameN-(2-bromo-5-chloro-4-methylphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine
SMILESC=CCn1cc(C)nc1Nc1cc(Cl)c(C)cc1Br
InChIInChI=1S/C14H15BrClN3/c1-4-5-19-8-10(3)17-14(19)18-13-7-12(16)9(2)6-11(13)15/h4,6-8H,1,5H2,2-3H3,(H,17,18)
InChIKeyJOLQYVRJSRYNBO-UHFFFAOYSA-N
XLogP4.85
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.65
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine?
The IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine (CID 106580684) is N-(2-bromo-5-chloro-4-methylphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine.
What is the SMILES notation for N-(2-bromo-5-chloro-4-methylphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine?
The canonical SMILES for N-(2-bromo-5-chloro-4-methylphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine is C=CCn1cc(C)nc1Nc1cc(Cl)c(C)cc1Br.
What is the InChIKey of N-(2-bromo-5-chloro-4-methylphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine?
The InChIKey is JOLQYVRJSRYNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN3/c1-4-5-19-8-10(3)17-14(19)18-13-7-12(16)9(2)6-11(13)15/h4,6-8H,1,5H2,2-3H3,(H,17,18).
What are the key properties of N-(2-bromo-5-chloro-4-methylphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine?
N-(2-bromo-5-chloro-4-methylphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine has a molecular weight of 340.65 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chloro-4-methylphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106580684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).