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

C14H17BrClN3 — CID 106580659

IUPAC1-(2-bromo-5-chloro-4-methylphenyl)-4-methyl-N-propylimidazol-2-amine
SMILESCCCNc1nc(C)cn1-c1cc(Cl)c(C)cc1Br
InChIInChI=1S/C14H17BrClN3/c1-4-5-17-14-18-10(3)8-19(14)13-7-12(16)9(2)6-11(13)15/h6-8H,4-5H2,1-3H3,(H,17,18)
InChIKeyGJRSUFGQWXHWBS-UHFFFAOYSA-N
MW342.67 g/mol
LogP4.73
Rot. Bonds4

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

1-(2-bromo-5-chloro-4-methylphenyl)-4-methyl-N-propylimidazol-2-amine (PubChem CID 106580659) has the molecular formula C14H17BrClN3 and a molecular weight of 342.67 g/mol. Its IUPAC name is 1-(2-bromo-5-chloro-4-methylphenyl)-4-methyl-N-propylimidazol-2-amine.

Molecular Properties

Compound Name1-(2-bromo-5-chloro-4-methylphenyl)-4-methyl-N-propylimidazol-2-amine
PubChem CID106580659
Molecular FormulaC14H17BrClN3
Molecular Weight342.67 g/mol
Exact Mass341.03
IUPAC Name1-(2-bromo-5-chloro-4-methylphenyl)-4-methyl-N-propylimidazol-2-amine
SMILESCCCNc1nc(C)cn1-c1cc(Cl)c(C)cc1Br
InChIInChI=1S/C14H17BrClN3/c1-4-5-17-14-18-10(3)8-19(14)13-7-12(16)9(2)6-11(13)15/h6-8H,4-5H2,1-3H3,(H,17,18)
InChIKeyGJRSUFGQWXHWBS-UHFFFAOYSA-N
XLogP4.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.67
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dibromo-5-methoxyphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106583526
1-(3-chloro-4-methylphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106555469
1-(2-chlorophenyl)-4-methyl-N-propylimidazol-2-amine
CID 106558751
1-(2,5-dimethylphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106558223
1-(2-bromo-4-methylphenyl)-N-butyl-4-methylimidazol-2-amine
CID 106555636
N-butyl-1-(2-chloro-5-methylphenyl)-4-methylimidazol-2-amine
CID 107628198
1-(3,5-dimethylphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106559215
1-(2,5-difluorophenyl)-4-methyl-N-propylimidazol-2-amine
CID 106556858
1-(2-bromo-5-chlorophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106577977
N-butyl-1-(2-chloro-4-fluorophenyl)-4-methylimidazol-2-amine
CID 106554117
1-(3,5-difluorophenyl)-4-methyl-N-propylimidazol-2-amine
CID 106559729
1-(2-bromo-5-chloro-4-methylphenyl)-N-(2-methoxyethyl)imidazol-2-amine
CID 106580686

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-chloro-4-methylphenyl)-4-methyl-N-propylimidazol-2-amine?
The IUPAC name of 1-(2-bromo-5-chloro-4-methylphenyl)-4-methyl-N-propylimidazol-2-amine (CID 106580659) is 1-(2-bromo-5-chloro-4-methylphenyl)-4-methyl-N-propylimidazol-2-amine.
What is the SMILES notation for 1-(2-bromo-5-chloro-4-methylphenyl)-4-methyl-N-propylimidazol-2-amine?
The canonical SMILES for 1-(2-bromo-5-chloro-4-methylphenyl)-4-methyl-N-propylimidazol-2-amine is CCCNc1nc(C)cn1-c1cc(Cl)c(C)cc1Br.
What is the InChIKey of 1-(2-bromo-5-chloro-4-methylphenyl)-4-methyl-N-propylimidazol-2-amine?
The InChIKey is GJRSUFGQWXHWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClN3/c1-4-5-17-14-18-10(3)8-19(14)13-7-12(16)9(2)6-11(13)15/h6-8H,4-5H2,1-3H3,(H,17,18).
What are the key properties of 1-(2-bromo-5-chloro-4-methylphenyl)-4-methyl-N-propylimidazol-2-amine?
1-(2-bromo-5-chloro-4-methylphenyl)-4-methyl-N-propylimidazol-2-amine has a molecular weight of 342.67 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-chloro-4-methylphenyl)-4-methyl-N-propylimidazol-2-amine is sourced from PubChem (CID 106580659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).