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

C15H18BrFN4 — CID 63468040

IUPAC4-(3-bromo-4-fluorophenyl)-2-cyclohexylimidazole-1,5-diamine
SMILESNc1c(-c2ccc(F)c(Br)c2)nc(C2CCCCC2)n1N
InChIInChI=1S/C15H18BrFN4/c16-11-8-10(6-7-12(11)17)13-14(18)21(19)15(20-13)9-4-2-1-3-5-9/h6-9H,1-5,18-19H2
InChIKeyBEXLTIGXAIOIBW-UHFFFAOYSA-N
MW353.24 g/mol
LogP3.80
Rot. Bonds2

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

4-(3-bromo-4-fluorophenyl)-2-cyclohexylimidazole-1,5-diamine (PubChem CID 63468040) has the molecular formula C15H18BrFN4 and a molecular weight of 353.24 g/mol. Its IUPAC name is 4-(3-bromo-4-fluorophenyl)-2-cyclohexylimidazole-1,5-diamine.

Molecular Properties

Compound Name4-(3-bromo-4-fluorophenyl)-2-cyclohexylimidazole-1,5-diamine
PubChem CID63468040
Molecular FormulaC15H18BrFN4
Molecular Weight353.24 g/mol
Exact Mass352.07
IUPAC Name4-(3-bromo-4-fluorophenyl)-2-cyclohexylimidazole-1,5-diamine
SMILESNc1c(-c2ccc(F)c(Br)c2)nc(C2CCCCC2)n1N
InChIInChI=1S/C15H18BrFN4/c16-11-8-10(6-7-12(11)17)13-14(18)21(19)15(20-13)9-4-2-1-3-5-9/h6-9H,1-5,18-19H2
InChIKeyBEXLTIGXAIOIBW-UHFFFAOYSA-N
XLogP3.80
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-fluorophenyl)-2-cyclohexylimidazole-1,5-diamine?
The IUPAC name of 4-(3-bromo-4-fluorophenyl)-2-cyclohexylimidazole-1,5-diamine (CID 63468040) is 4-(3-bromo-4-fluorophenyl)-2-cyclohexylimidazole-1,5-diamine.
What is the SMILES notation for 4-(3-bromo-4-fluorophenyl)-2-cyclohexylimidazole-1,5-diamine?
The canonical SMILES for 4-(3-bromo-4-fluorophenyl)-2-cyclohexylimidazole-1,5-diamine is Nc1c(-c2ccc(F)c(Br)c2)nc(C2CCCCC2)n1N.
What is the InChIKey of 4-(3-bromo-4-fluorophenyl)-2-cyclohexylimidazole-1,5-diamine?
The InChIKey is BEXLTIGXAIOIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrFN4/c16-11-8-10(6-7-12(11)17)13-14(18)21(19)15(20-13)9-4-2-1-3-5-9/h6-9H,1-5,18-19H2.
What are the key properties of 4-(3-bromo-4-fluorophenyl)-2-cyclohexylimidazole-1,5-diamine?
4-(3-bromo-4-fluorophenyl)-2-cyclohexylimidazole-1,5-diamine has a molecular weight of 353.24 g/mol, XLogP of 3.80, 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-cyclohexylimidazole-1,5-diamine is sourced from PubChem (CID 63468040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).