N-(2,6-dichloro-4-fluorophenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine

C14H16Cl2FN3O — CID 106578795

IUPACN-(2,6-dichloro-4-fluorophenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
SMILESCOCCCn1cc(C)nc1Nc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C14H16Cl2FN3O/c1-9-8-20(4-3-5-21-2)14(18-9)19-13-11(15)6-10(17)7-12(13)16/h6-8H,3-5H2,1-2H3,(H,18,19)
InChIKeyXADJSLQAQHFPLS-UHFFFAOYSA-N
MW332.21 g/mol
LogP4.42
Rot. Bonds6

About N-(2,6-dichloro-4-fluorophenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine

N-(2,6-dichloro-4-fluorophenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine (PubChem CID 106578795) has the molecular formula C14H16Cl2FN3O and a molecular weight of 332.21 g/mol. Its IUPAC name is N-(2,6-dichloro-4-fluorophenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-(2,6-dichloro-4-fluorophenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
PubChem CID106578795
Molecular FormulaC14H16Cl2FN3O
Molecular Weight332.21 g/mol
Exact Mass331.07
IUPAC NameN-(2,6-dichloro-4-fluorophenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
SMILESCOCCCn1cc(C)nc1Nc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C14H16Cl2FN3O/c1-9-8-20(4-3-5-21-2)14(18-9)19-13-11(15)6-10(17)7-12(13)16/h6-8H,3-5H2,1-2H3,(H,18,19)
InChIKeyXADJSLQAQHFPLS-UHFFFAOYSA-N
XLogP4.42
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 54.42
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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Related Compounds

N-(2,6-dichloro-4-fluorophenyl)-4-methyl-1-propylimidazol-2-amine
CID 106578797
N-(2,6-dichloro-3-methylphenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106555948
1-(3-methoxypropyl)-4-methyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine
CID 106570758
N-(2,6-dichloro-4-fluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106578785
N-(2-chloro-4,6-difluorophenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106578712
1-butyl-4-methyl-N-(2,4,6-trifluorophenyl)imidazol-2-amine
CID 106575756
N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]-5-methylpyridin-3-amine
CID 107587270
1-(3-methoxypropyl)-4-methyl-N-(4-propan-2-ylphenyl)imidazol-2-amine
CID 106557357
N-(4-bromo-2,3-dichlorophenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 107795879
N-(4-chloro-2-fluorophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106568956
N-[(2-chlorophenyl)methyl]-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106557078
N-(4-bromo-3-methoxyphenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106579189

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-4-fluorophenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine?
The IUPAC name of N-(2,6-dichloro-4-fluorophenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine (CID 106578795) is N-(2,6-dichloro-4-fluorophenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine.
What is the SMILES notation for N-(2,6-dichloro-4-fluorophenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine?
The canonical SMILES for N-(2,6-dichloro-4-fluorophenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine is COCCCn1cc(C)nc1Nc1c(Cl)cc(F)cc1Cl.
What is the InChIKey of N-(2,6-dichloro-4-fluorophenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine?
The InChIKey is XADJSLQAQHFPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2FN3O/c1-9-8-20(4-3-5-21-2)14(18-9)19-13-11(15)6-10(17)7-12(13)16/h6-8H,3-5H2,1-2H3,(H,18,19).
What are the key properties of N-(2,6-dichloro-4-fluorophenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine?
N-(2,6-dichloro-4-fluorophenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine has a molecular weight of 332.21 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-4-fluorophenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106578795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).