5-(4-bromo-2-fluorophenyl)-3-(2-methylpropyl)-2-propan-2-ylimidazol-4-amine

C16H21BrFN3 — CID 63467465

IUPAC5-(4-bromo-2-fluorophenyl)-3-(2-methylpropyl)-2-propan-2-ylimidazol-4-amine
SMILESCC(C)Cn1c(C(C)C)nc(-c2ccc(Br)cc2F)c1N
InChIInChI=1S/C16H21BrFN3/c1-9(2)8-21-15(19)14(20-16(21)10(3)4)12-6-5-11(17)7-13(12)18/h5-7,9-10H,8,19H2,1-4H3
InChIKeyKFDIYZZIVVSCSX-UHFFFAOYSA-N
MW354.27 g/mol
LogP4.81
Rot. Bonds4

About 5-(4-bromo-2-fluorophenyl)-3-(2-methylpropyl)-2-propan-2-ylimidazol-4-amine

5-(4-bromo-2-fluorophenyl)-3-(2-methylpropyl)-2-propan-2-ylimidazol-4-amine (PubChem CID 63467465) has the molecular formula C16H21BrFN3 and a molecular weight of 354.27 g/mol. Its IUPAC name is 5-(4-bromo-2-fluorophenyl)-3-(2-methylpropyl)-2-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name5-(4-bromo-2-fluorophenyl)-3-(2-methylpropyl)-2-propan-2-ylimidazol-4-amine
PubChem CID63467465
Molecular FormulaC16H21BrFN3
Molecular Weight354.27 g/mol
Exact Mass353.09
IUPAC Name5-(4-bromo-2-fluorophenyl)-3-(2-methylpropyl)-2-propan-2-ylimidazol-4-amine
SMILESCC(C)Cn1c(C(C)C)nc(-c2ccc(Br)cc2F)c1N
InChIInChI=1S/C16H21BrFN3/c1-9(2)8-21-15(19)14(20-16(21)10(3)4)12-6-5-11(17)7-13(12)18/h5-7,9-10H,8,19H2,1-4H3
InChIKeyKFDIYZZIVVSCSX-UHFFFAOYSA-N
XLogP4.81
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-bromo-2-fluorophenyl)-3-ethyl-2-methylimidazol-4-amine
CID 55048064
5-(2,4-difluorophenyl)-2-methyl-3-(2-methylpropyl)imidazol-4-amine
CID 62224859
3-benzyl-5-(2,4-difluorophenyl)-2-propan-2-ylimidazol-4-amine
CID 113228766
3-butyl-5-(2,4-difluorophenyl)-2-propan-2-ylimidazol-4-amine
CID 62220167
5-(2,4-difluorophenyl)-3-(2-methylpropyl)-2-propylimidazol-4-amine
CID 62218894
5-(5-bromo-2-methoxyphenyl)-2-propan-2-yl-3-propylimidazol-4-amine
CID 62219092
3-(4-bromo-2-fluorophenyl)-5-(chloromethyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 113302206
3-(4-bromo-2-fluorophenyl)-1-ethylpyrazol-4-amine
CID 83216680
3-(4-bromo-2-fluorophenyl)-1-methyl-4-propylpyrazol-5-amine
CID 79405825
2-(4-bromo-2-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 63618967
5-(5-bromo-2-fluorophenyl)-3-(2-methylpropyl)imidazol-4-amine
CID 62017562
3,5-bis(2-methylpropyl)-2-propan-2-ylimidazol-4-amine
CID 55048363

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-fluorophenyl)-3-(2-methylpropyl)-2-propan-2-ylimidazol-4-amine?
The IUPAC name of 5-(4-bromo-2-fluorophenyl)-3-(2-methylpropyl)-2-propan-2-ylimidazol-4-amine (CID 63467465) is 5-(4-bromo-2-fluorophenyl)-3-(2-methylpropyl)-2-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 5-(4-bromo-2-fluorophenyl)-3-(2-methylpropyl)-2-propan-2-ylimidazol-4-amine?
The canonical SMILES for 5-(4-bromo-2-fluorophenyl)-3-(2-methylpropyl)-2-propan-2-ylimidazol-4-amine is CC(C)Cn1c(C(C)C)nc(-c2ccc(Br)cc2F)c1N.
What is the InChIKey of 5-(4-bromo-2-fluorophenyl)-3-(2-methylpropyl)-2-propan-2-ylimidazol-4-amine?
The InChIKey is KFDIYZZIVVSCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrFN3/c1-9(2)8-21-15(19)14(20-16(21)10(3)4)12-6-5-11(17)7-13(12)18/h5-7,9-10H,8,19H2,1-4H3.
What are the key properties of 5-(4-bromo-2-fluorophenyl)-3-(2-methylpropyl)-2-propan-2-ylimidazol-4-amine?
5-(4-bromo-2-fluorophenyl)-3-(2-methylpropyl)-2-propan-2-ylimidazol-4-amine has a molecular weight of 354.27 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-fluorophenyl)-3-(2-methylpropyl)-2-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 63467465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).