N-(4-bromo-3,5-dimethylphenyl)-1-butylimidazol-2-amine

C15H20BrN3 — CID 107581491

IUPACN-(4-bromo-3,5-dimethylphenyl)-1-butylimidazol-2-amine
SMILESCCCCn1ccnc1Nc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C15H20BrN3/c1-4-5-7-19-8-6-17-15(19)18-13-9-11(2)14(16)12(3)10-13/h6,8-10H,4-5,7H2,1-3H3,(H,17,18)
InChIKeyGAIDZUUJDBYPBK-UHFFFAOYSA-N
MW322.25 g/mol
LogP4.81
Rot. Bonds5

About N-(4-bromo-3,5-dimethylphenyl)-1-butylimidazol-2-amine

N-(4-bromo-3,5-dimethylphenyl)-1-butylimidazol-2-amine (PubChem CID 107581491) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is N-(4-bromo-3,5-dimethylphenyl)-1-butylimidazol-2-amine.

Molecular Properties

Compound NameN-(4-bromo-3,5-dimethylphenyl)-1-butylimidazol-2-amine
PubChem CID107581491
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC NameN-(4-bromo-3,5-dimethylphenyl)-1-butylimidazol-2-amine
SMILESCCCCn1ccnc1Nc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C15H20BrN3/c1-4-5-7-19-8-6-17-15(19)18-13-9-11(2)14(16)12(3)10-13/h6,8-10H,4-5,7H2,1-3H3,(H,17,18)
InChIKeyGAIDZUUJDBYPBK-UHFFFAOYSA-N
XLogP4.81
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-N-(3-methylphenyl)imidazol-2-amine
CID 106560213
N-(3,5-dimethylphenyl)-1-propylimidazol-2-amine
CID 106559204
N-(4-bromo-2,6-difluorophenyl)-1-butylimidazol-2-amine
CID 106574076
1-butyl-N-(4-propan-2-ylphenyl)imidazol-2-amine
CID 106557363
1-octyl-N-phenylimidazol-2-amine
CID 106578848
1-butyl-N-(3-chloro-4-fluorophenyl)imidazol-2-amine
CID 106554378
N-(2-bromo-5-fluorophenyl)-1-butylimidazol-2-amine
CID 107628372
1-butyl-N-(2,4-dibromo-5-methoxyphenyl)imidazol-2-amine
CID 106583543
N-(2-bromo-6-chloro-4-fluorophenyl)-1-butylimidazol-2-amine
CID 107618171
N-(5-bromo-2-methoxyphenyl)-1-butylimidazol-2-amine
CID 106569080
N-(4-bromo-3-methylphenyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106557048
N-tert-butyl-1-butylimidazol-2-amine
CID 106554804

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-1-butylimidazol-2-amine?
The IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-1-butylimidazol-2-amine (CID 107581491) is N-(4-bromo-3,5-dimethylphenyl)-1-butylimidazol-2-amine.
What is the SMILES notation for N-(4-bromo-3,5-dimethylphenyl)-1-butylimidazol-2-amine?
The canonical SMILES for N-(4-bromo-3,5-dimethylphenyl)-1-butylimidazol-2-amine is CCCCn1ccnc1Nc1cc(C)c(Br)c(C)c1.
What is the InChIKey of N-(4-bromo-3,5-dimethylphenyl)-1-butylimidazol-2-amine?
The InChIKey is GAIDZUUJDBYPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-4-5-7-19-8-6-17-15(19)18-13-9-11(2)14(16)12(3)10-13/h6,8-10H,4-5,7H2,1-3H3,(H,17,18).
What are the key properties of N-(4-bromo-3,5-dimethylphenyl)-1-butylimidazol-2-amine?
N-(4-bromo-3,5-dimethylphenyl)-1-butylimidazol-2-amine has a molecular weight of 322.25 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3,5-dimethylphenyl)-1-butylimidazol-2-amine is sourced from PubChem (CID 107581491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).