N-[(3-bromophenyl)methyl]-5-(4-fluorophenyl)-1-(2-methoxyethyl)imidazol-2-amine

C19H19BrFN3O — CID 5042199

IUPACN-[(3-bromophenyl)methyl]-5-(4-fluorophenyl)-1-(2-methoxyethyl)imidazol-2-amine
SMILESCOCCn1c(-c2ccc(F)cc2)cnc1NCc1cccc(Br)c1
InChIInChI=1S/C19H19BrFN3O/c1-25-10-9-24-18(15-5-7-17(21)8-6-15)13-23-19(24)22-12-14-3-2-4-16(20)11-14/h2-8,11,13H,9-10,12H2,1H3,(H,22,23)
InChIKeyZBZCAKFATHRHDF-UHFFFAOYSA-N
MW404.28 g/mol
LogP4.71
Rot. Bonds7

About N-[(3-bromophenyl)methyl]-5-(4-fluorophenyl)-1-(2-methoxyethyl)imidazol-2-amine

N-[(3-bromophenyl)methyl]-5-(4-fluorophenyl)-1-(2-methoxyethyl)imidazol-2-amine (PubChem CID 5042199) has the molecular formula C19H19BrFN3O and a molecular weight of 404.28 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-5-(4-fluorophenyl)-1-(2-methoxyethyl)imidazol-2-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-5-(4-fluorophenyl)-1-(2-methoxyethyl)imidazol-2-amine
PubChem CID5042199
Molecular FormulaC19H19BrFN3O
Molecular Weight404.28 g/mol
Exact Mass403.07
IUPAC NameN-[(3-bromophenyl)methyl]-5-(4-fluorophenyl)-1-(2-methoxyethyl)imidazol-2-amine
SMILESCOCCn1c(-c2ccc(F)cc2)cnc1NCc1cccc(Br)c1
InChIInChI=1S/C19H19BrFN3O/c1-25-10-9-24-18(15-5-7-17(21)8-6-15)13-23-19(24)22-12-14-3-2-4-16(20)11-14/h2-8,11,13H,9-10,12H2,1H3,(H,22,23)
InChIKeyZBZCAKFATHRHDF-UHFFFAOYSA-N
XLogP4.71
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.28
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-5-(4-fluorophenyl)-1-(2-methoxyethyl)imidazol-2-amine?
The IUPAC name of N-[(3-bromophenyl)methyl]-5-(4-fluorophenyl)-1-(2-methoxyethyl)imidazol-2-amine (CID 5042199) is N-[(3-bromophenyl)methyl]-5-(4-fluorophenyl)-1-(2-methoxyethyl)imidazol-2-amine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-5-(4-fluorophenyl)-1-(2-methoxyethyl)imidazol-2-amine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-5-(4-fluorophenyl)-1-(2-methoxyethyl)imidazol-2-amine is COCCn1c(-c2ccc(F)cc2)cnc1NCc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-5-(4-fluorophenyl)-1-(2-methoxyethyl)imidazol-2-amine?
The InChIKey is ZBZCAKFATHRHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrFN3O/c1-25-10-9-24-18(15-5-7-17(21)8-6-15)13-23-19(24)22-12-14-3-2-4-16(20)11-14/h2-8,11,13H,9-10,12H2,1H3,(H,22,23).
What are the key properties of N-[(3-bromophenyl)methyl]-5-(4-fluorophenyl)-1-(2-methoxyethyl)imidazol-2-amine?
N-[(3-bromophenyl)methyl]-5-(4-fluorophenyl)-1-(2-methoxyethyl)imidazol-2-amine has a molecular weight of 404.28 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-5-(4-fluorophenyl)-1-(2-methoxyethyl)imidazol-2-amine is sourced from PubChem (CID 5042199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).