N-(5-bromo-2-methoxyphenyl)-1-butylimidazol-2-amine

C14H18BrN3O — CID 106569080

IUPACN-(5-bromo-2-methoxyphenyl)-1-butylimidazol-2-amine
SMILESCCCCn1ccnc1Nc1cc(Br)ccc1OC
InChIInChI=1S/C14H18BrN3O/c1-3-4-8-18-9-7-16-14(18)17-12-10-11(15)5-6-13(12)19-2/h5-7,9-10H,3-4,8H2,1-2H3,(H,16,17)
InChIKeyDCUSGGWHLZFFRH-UHFFFAOYSA-N
MW324.22 g/mol
LogP4.20
Rot. Bonds6

About N-(5-bromo-2-methoxyphenyl)-1-butylimidazol-2-amine

N-(5-bromo-2-methoxyphenyl)-1-butylimidazol-2-amine (PubChem CID 106569080) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)-1-butylimidazol-2-amine.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)-1-butylimidazol-2-amine
PubChem CID106569080
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC NameN-(5-bromo-2-methoxyphenyl)-1-butylimidazol-2-amine
SMILESCCCCn1ccnc1Nc1cc(Br)ccc1OC
InChIInChI=1S/C14H18BrN3O/c1-3-4-8-18-9-7-16-14(18)17-12-10-11(15)5-6-13(12)19-2/h5-7,9-10H,3-4,8H2,1-2H3,(H,16,17)
InChIKeyDCUSGGWHLZFFRH-UHFFFAOYSA-N
XLogP4.20
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-N-(2,4-dibromo-5-methoxyphenyl)imidazol-2-amine
CID 106583543
N-(2-bromo-5-fluorophenyl)-1-butylimidazol-2-amine
CID 107628372
N-(5-bromo-2-methoxyphenyl)-1-phenylimidazol-2-amine
CID 106569079
1-butyl-N-(2-ethoxyphenyl)imidazol-2-amine
CID 106583757
N-(4-bromo-2-fluorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine
CID 106556965
N-(4-bromo-2,6-difluorophenyl)-1-butylimidazol-2-amine
CID 106574076
N-(4-bromo-3,5-dimethylphenyl)-1-butylimidazol-2-amine
CID 107581491
N-(5-bromo-2-chlorophenyl)-1-ethylimidazol-2-amine
CID 106571125
N-(1-butylimidazol-2-yl)-5-methoxy-1-methylpyrazol-3-amine
CID 114256729
1-butyl-N-(3-methylphenyl)imidazol-2-amine
CID 106560213
1-butyl-N-(2-propylphenyl)imidazol-2-amine
CID 106567389
1-butyl-N-(2-chloro-4-iodophenyl)imidazol-2-amine
CID 107605158

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)-1-butylimidazol-2-amine?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)-1-butylimidazol-2-amine (CID 106569080) is N-(5-bromo-2-methoxyphenyl)-1-butylimidazol-2-amine.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)-1-butylimidazol-2-amine?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)-1-butylimidazol-2-amine is CCCCn1ccnc1Nc1cc(Br)ccc1OC.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)-1-butylimidazol-2-amine?
The InChIKey is DCUSGGWHLZFFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-3-4-8-18-9-7-16-14(18)17-12-10-11(15)5-6-13(12)19-2/h5-7,9-10H,3-4,8H2,1-2H3,(H,16,17).
What are the key properties of N-(5-bromo-2-methoxyphenyl)-1-butylimidazol-2-amine?
N-(5-bromo-2-methoxyphenyl)-1-butylimidazol-2-amine has a molecular weight of 324.22 g/mol, XLogP of 4.20, 6 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)-1-butylimidazol-2-amine is sourced from PubChem (CID 106569080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).