N-(4-bromo-2,3-dichlorophenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine

C14H16BrCl2N3O — CID 107795879

IUPACN-(4-bromo-2,3-dichlorophenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
SMILESCOCCCn1cc(C)nc1Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C14H16BrCl2N3O/c1-9-8-20(6-3-7-21-2)14(18-9)19-11-5-4-10(15)12(16)13(11)17/h4-5,8H,3,6-7H2,1-2H3,(H,18,19)
InChIKeyUUVWSKNNTFXUND-UHFFFAOYSA-N
MW393.11 g/mol
LogP5.04
Rot. Bonds6

About N-(4-bromo-2,3-dichlorophenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine

N-(4-bromo-2,3-dichlorophenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine (PubChem CID 107795879) has the molecular formula C14H16BrCl2N3O and a molecular weight of 393.11 g/mol. Its IUPAC name is N-(4-bromo-2,3-dichlorophenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-(4-bromo-2,3-dichlorophenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
PubChem CID107795879
Molecular FormulaC14H16BrCl2N3O
Molecular Weight393.11 g/mol
Exact Mass390.99
IUPAC NameN-(4-bromo-2,3-dichlorophenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
SMILESCOCCCn1cc(C)nc1Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C14H16BrCl2N3O/c1-9-8-20(6-3-7-21-2)14(18-9)19-11-5-4-10(15)12(16)13(11)17/h4-5,8H,3,6-7H2,1-2H3,(H,18,19)
InChIKeyUUVWSKNNTFXUND-UHFFFAOYSA-N
XLogP5.04
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.11
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-3-methoxyphenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106579189
N-(2,6-dichloro-3-methylphenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106555948
N-(4-bromo-2-chlorophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106561203
1-(3-methoxypropyl)-4-methyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine
CID 106570758
1-(3-methoxypropyl)-4-methyl-N-(4-propan-2-ylphenyl)imidazol-2-amine
CID 106557357
N-(2,6-dichloro-4-fluorophenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106578795
N-(4-chloro-2-fluorophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106568956
N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]-5-methylpyridin-3-amine
CID 107587270
N-(5-bromo-2-chlorophenyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106571100
1-butyl-N-(2,3-dichlorophenyl)-4-methylimidazol-2-amine
CID 106560288
N-[(2-chlorophenyl)methyl]-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106557078
N-cyclopropyl-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106554952

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine?
The IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine (CID 107795879) is N-(4-bromo-2,3-dichlorophenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine.
What is the SMILES notation for N-(4-bromo-2,3-dichlorophenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine?
The canonical SMILES for N-(4-bromo-2,3-dichlorophenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine is COCCCn1cc(C)nc1Nc1ccc(Br)c(Cl)c1Cl.
What is the InChIKey of N-(4-bromo-2,3-dichlorophenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine?
The InChIKey is UUVWSKNNTFXUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrCl2N3O/c1-9-8-20(6-3-7-21-2)14(18-9)19-11-5-4-10(15)12(16)13(11)17/h4-5,8H,3,6-7H2,1-2H3,(H,18,19).
What are the key properties of N-(4-bromo-2,3-dichlorophenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine?
N-(4-bromo-2,3-dichlorophenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine has a molecular weight of 393.11 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,3-dichlorophenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 107795879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).