4-(3-bromo-4-fluorophenyl)-2-propan-2-ylimidazole-1,5-diamine

C12H14BrFN4 — CID 62508096

IUPAC4-(3-bromo-4-fluorophenyl)-2-propan-2-ylimidazole-1,5-diamine
SMILESCC(C)c1nc(-c2ccc(F)c(Br)c2)c(N)n1N
InChIInChI=1S/C12H14BrFN4/c1-6(2)12-17-10(11(15)18(12)16)7-3-4-9(14)8(13)5-7/h3-6H,15-16H2,1-2H3
InChIKeyNIJPVIPFONPPRM-UHFFFAOYSA-N
MW313.17 g/mol
LogP2.87
Rot. Bonds2

About 4-(3-bromo-4-fluorophenyl)-2-propan-2-ylimidazole-1,5-diamine

4-(3-bromo-4-fluorophenyl)-2-propan-2-ylimidazole-1,5-diamine (PubChem CID 62508096) has the molecular formula C12H14BrFN4 and a molecular weight of 313.17 g/mol. Its IUPAC name is 4-(3-bromo-4-fluorophenyl)-2-propan-2-ylimidazole-1,5-diamine.

Molecular Properties

Compound Name4-(3-bromo-4-fluorophenyl)-2-propan-2-ylimidazole-1,5-diamine
PubChem CID62508096
Molecular FormulaC12H14BrFN4
Molecular Weight313.17 g/mol
Exact Mass312.04
IUPAC Name4-(3-bromo-4-fluorophenyl)-2-propan-2-ylimidazole-1,5-diamine
SMILESCC(C)c1nc(-c2ccc(F)c(Br)c2)c(N)n1N
InChIInChI=1S/C12H14BrFN4/c1-6(2)12-17-10(11(15)18(12)16)7-3-4-9(14)8(13)5-7/h3-6H,15-16H2,1-2H3
InChIKeyNIJPVIPFONPPRM-UHFFFAOYSA-N
XLogP2.87
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.17
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methylphenyl)-2-propan-2-ylimidazole-1,5-diamine
CID 62507931
4-(3,4-dimethoxyphenyl)-2-propan-2-ylimidazole-1,5-diamine
CID 62506121
5-(3-bromo-4-fluorophenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine
CID 55048634
4-(3-bromo-4-fluorophenyl)-2-cyclohexylimidazole-1,5-diamine
CID 63468040
5-(4-fluoro-3-methylphenyl)-3-methyl-2-propan-2-ylimidazol-4-amine
CID 62219778
2-propan-2-yl-4-quinolin-6-ylimidazole-1,5-diamine
CID 63970356
3-(3-bromo-4-fluorophenyl)-1-(1-cyclopropylethyl)pyrazol-4-amine
CID 83218167
2-(3-bromo-4-fluorophenyl)-8-chloroimidazo[1,2-a]pyridin-3-amine
CID 103095072
4-(3-fluoro-4-methylphenyl)-2-methylimidazole-1,5-diamine
CID 63645352
4-(2-methylphenyl)-2-propan-2-ylimidazole-1,5-diamine
CID 62506943
5-(3-bromo-4-fluorophenyl)-3-propan-2-yl-1,2,4-oxadiazole
CID 82489563
5-(4-bromo-3-methylphenyl)-3-butyl-2-propan-2-ylimidazol-4-amine
CID 66480273

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-fluorophenyl)-2-propan-2-ylimidazole-1,5-diamine?
The IUPAC name of 4-(3-bromo-4-fluorophenyl)-2-propan-2-ylimidazole-1,5-diamine (CID 62508096) is 4-(3-bromo-4-fluorophenyl)-2-propan-2-ylimidazole-1,5-diamine.
What is the SMILES notation for 4-(3-bromo-4-fluorophenyl)-2-propan-2-ylimidazole-1,5-diamine?
The canonical SMILES for 4-(3-bromo-4-fluorophenyl)-2-propan-2-ylimidazole-1,5-diamine is CC(C)c1nc(-c2ccc(F)c(Br)c2)c(N)n1N.
What is the InChIKey of 4-(3-bromo-4-fluorophenyl)-2-propan-2-ylimidazole-1,5-diamine?
The InChIKey is NIJPVIPFONPPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN4/c1-6(2)12-17-10(11(15)18(12)16)7-3-4-9(14)8(13)5-7/h3-6H,15-16H2,1-2H3.
What are the key properties of 4-(3-bromo-4-fluorophenyl)-2-propan-2-ylimidazole-1,5-diamine?
4-(3-bromo-4-fluorophenyl)-2-propan-2-ylimidazole-1,5-diamine has a molecular weight of 313.17 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-fluorophenyl)-2-propan-2-ylimidazole-1,5-diamine is sourced from PubChem (CID 62508096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).