1-(2-bromo-5-chlorophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine

C14H17BrClN3O — CID 106577977

IUPAC1-(2-bromo-5-chlorophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine
SMILESCOCCCNc1nc(C)cn1-c1cc(Cl)ccc1Br
InChIInChI=1S/C14H17BrClN3O/c1-10-9-19(13-8-11(16)4-5-12(13)15)14(18-10)17-6-3-7-20-2/h4-5,8-9H,3,6-7H2,1-2H3,(H,17,18)
InChIKeyWMVIWHLUOFMGRE-UHFFFAOYSA-N
MW358.67 g/mol
LogP4.05
Rot. Bonds6

About 1-(2-bromo-5-chlorophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine

1-(2-bromo-5-chlorophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine (PubChem CID 106577977) has the molecular formula C14H17BrClN3O and a molecular weight of 358.67 g/mol. Its IUPAC name is 1-(2-bromo-5-chlorophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-(2-bromo-5-chlorophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine
PubChem CID106577977
Molecular FormulaC14H17BrClN3O
Molecular Weight358.67 g/mol
Exact Mass357.02
IUPAC Name1-(2-bromo-5-chlorophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine
SMILESCOCCCNc1nc(C)cn1-c1cc(Cl)ccc1Br
InChIInChI=1S/C14H17BrClN3O/c1-10-9-19(13-8-11(16)4-5-12(13)15)14(18-10)17-6-3-7-20-2/h4-5,8-9H,3,6-7H2,1-2H3,(H,17,18)
InChIKeyWMVIWHLUOFMGRE-UHFFFAOYSA-N
XLogP4.05
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.67
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-chlorophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine?
The IUPAC name of 1-(2-bromo-5-chlorophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine (CID 106577977) is 1-(2-bromo-5-chlorophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-(2-bromo-5-chlorophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-(2-bromo-5-chlorophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine is COCCCNc1nc(C)cn1-c1cc(Cl)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-chlorophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine?
The InChIKey is WMVIWHLUOFMGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClN3O/c1-10-9-19(13-8-11(16)4-5-12(13)15)14(18-10)17-6-3-7-20-2/h4-5,8-9H,3,6-7H2,1-2H3,(H,17,18).
What are the key properties of 1-(2-bromo-5-chlorophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine?
1-(2-bromo-5-chlorophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine has a molecular weight of 358.67 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-chlorophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106577977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).