1-butyl-N-(2,4-dibromo-5-methoxyphenyl)imidazol-2-amine

C14H17Br2N3O — CID 106583543

IUPAC1-butyl-N-(2,4-dibromo-5-methoxyphenyl)imidazol-2-amine
SMILESCCCCn1ccnc1Nc1cc(OC)c(Br)cc1Br
InChIInChI=1S/C14H17Br2N3O/c1-3-4-6-19-7-5-17-14(19)18-12-9-13(20-2)11(16)8-10(12)15/h5,7-9H,3-4,6H2,1-2H3,(H,17,18)
InChIKeyFPWFFZLXDRCQEJ-UHFFFAOYSA-N
MW403.12 g/mol
LogP4.96
Rot. Bonds6

About 1-butyl-N-(2,4-dibromo-5-methoxyphenyl)imidazol-2-amine

1-butyl-N-(2,4-dibromo-5-methoxyphenyl)imidazol-2-amine (PubChem CID 106583543) has the molecular formula C14H17Br2N3O and a molecular weight of 403.12 g/mol. Its IUPAC name is 1-butyl-N-(2,4-dibromo-5-methoxyphenyl)imidazol-2-amine.

Molecular Properties

Compound Name1-butyl-N-(2,4-dibromo-5-methoxyphenyl)imidazol-2-amine
PubChem CID106583543
Molecular FormulaC14H17Br2N3O
Molecular Weight403.12 g/mol
Exact Mass400.97
IUPAC Name1-butyl-N-(2,4-dibromo-5-methoxyphenyl)imidazol-2-amine
SMILESCCCCn1ccnc1Nc1cc(OC)c(Br)cc1Br
InChIInChI=1S/C14H17Br2N3O/c1-3-4-6-19-7-5-17-14(19)18-12-9-13(20-2)11(16)8-10(12)15/h5,7-9H,3-4,6H2,1-2H3,(H,17,18)
InChIKeyFPWFFZLXDRCQEJ-UHFFFAOYSA-N
XLogP4.96
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.12
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-methoxyphenyl)-1-butylimidazol-2-amine
CID 106569080
N-(2-bromo-5-fluorophenyl)-1-butylimidazol-2-amine
CID 107628372
1-butyl-N-(2-ethoxyphenyl)imidazol-2-amine
CID 106583757
N-(4-bromo-3,5-dimethylphenyl)-1-butylimidazol-2-amine
CID 107581491
N-(1-butylimidazol-2-yl)-5-methoxy-1-methylpyrazol-3-amine
CID 114256729
N-(4-bromo-2,6-difluorophenyl)-1-butylimidazol-2-amine
CID 106574076
N-(2-bromo-5-chloro-4-methylphenyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106580696
N-(2-bromo-6-chloro-4-fluorophenyl)-1-butylimidazol-2-amine
CID 107618171
N-tert-butyl-1-butylimidazol-2-amine
CID 106554804
1-butyl-N-(3-methylphenyl)imidazol-2-amine
CID 106560213
1-butyl-N-(2-propylphenyl)imidazol-2-amine
CID 106567389
N-(2-bromo-5-methylphenyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106578947

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(2,4-dibromo-5-methoxyphenyl)imidazol-2-amine?
The IUPAC name of 1-butyl-N-(2,4-dibromo-5-methoxyphenyl)imidazol-2-amine (CID 106583543) is 1-butyl-N-(2,4-dibromo-5-methoxyphenyl)imidazol-2-amine.
What is the SMILES notation for 1-butyl-N-(2,4-dibromo-5-methoxyphenyl)imidazol-2-amine?
The canonical SMILES for 1-butyl-N-(2,4-dibromo-5-methoxyphenyl)imidazol-2-amine is CCCCn1ccnc1Nc1cc(OC)c(Br)cc1Br.
What is the InChIKey of 1-butyl-N-(2,4-dibromo-5-methoxyphenyl)imidazol-2-amine?
The InChIKey is FPWFFZLXDRCQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Br2N3O/c1-3-4-6-19-7-5-17-14(19)18-12-9-13(20-2)11(16)8-10(12)15/h5,7-9H,3-4,6H2,1-2H3,(H,17,18).
What are the key properties of 1-butyl-N-(2,4-dibromo-5-methoxyphenyl)imidazol-2-amine?
1-butyl-N-(2,4-dibromo-5-methoxyphenyl)imidazol-2-amine has a molecular weight of 403.12 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(2,4-dibromo-5-methoxyphenyl)imidazol-2-amine is sourced from PubChem (CID 106583543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).