2-cyclohexyl-4-(4-fluoro-3-methylphenyl)imidazole-1,5-diamine

C16H21FN4 — CID 62506115

IUPAC2-cyclohexyl-4-(4-fluoro-3-methylphenyl)imidazole-1,5-diamine
SMILESCc1cc(-c2nc(C3CCCCC3)n(N)c2N)ccc1F
InChIInChI=1S/C16H21FN4/c1-10-9-12(7-8-13(10)17)14-15(18)21(19)16(20-14)11-5-3-2-4-6-11/h7-9,11H,2-6,18-19H2,1H3
InChIKeyNOGPJLNFQIDXEL-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.34
Rot. Bonds2

About 2-cyclohexyl-4-(4-fluoro-3-methylphenyl)imidazole-1,5-diamine

2-cyclohexyl-4-(4-fluoro-3-methylphenyl)imidazole-1,5-diamine (PubChem CID 62506115) has the molecular formula C16H21FN4 and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-cyclohexyl-4-(4-fluoro-3-methylphenyl)imidazole-1,5-diamine.

Molecular Properties

Compound Name2-cyclohexyl-4-(4-fluoro-3-methylphenyl)imidazole-1,5-diamine
PubChem CID62506115
Molecular FormulaC16H21FN4
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC Name2-cyclohexyl-4-(4-fluoro-3-methylphenyl)imidazole-1,5-diamine
SMILESCc1cc(-c2nc(C3CCCCC3)n(N)c2N)ccc1F
InChIInChI=1S/C16H21FN4/c1-10-9-12(7-8-13(10)17)14-15(18)21(19)16(20-14)11-5-3-2-4-6-11/h7-9,11H,2-6,18-19H2,1H3
InChIKeyNOGPJLNFQIDXEL-UHFFFAOYSA-N
XLogP3.34
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-(4-fluoro-3-methylphenyl)imidazole-1,5-diamine?
The IUPAC name of 2-cyclohexyl-4-(4-fluoro-3-methylphenyl)imidazole-1,5-diamine (CID 62506115) is 2-cyclohexyl-4-(4-fluoro-3-methylphenyl)imidazole-1,5-diamine.
What is the SMILES notation for 2-cyclohexyl-4-(4-fluoro-3-methylphenyl)imidazole-1,5-diamine?
The canonical SMILES for 2-cyclohexyl-4-(4-fluoro-3-methylphenyl)imidazole-1,5-diamine is Cc1cc(-c2nc(C3CCCCC3)n(N)c2N)ccc1F.
What is the InChIKey of 2-cyclohexyl-4-(4-fluoro-3-methylphenyl)imidazole-1,5-diamine?
The InChIKey is NOGPJLNFQIDXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4/c1-10-9-12(7-8-13(10)17)14-15(18)21(19)16(20-14)11-5-3-2-4-6-11/h7-9,11H,2-6,18-19H2,1H3.
What are the key properties of 2-cyclohexyl-4-(4-fluoro-3-methylphenyl)imidazole-1,5-diamine?
2-cyclohexyl-4-(4-fluoro-3-methylphenyl)imidazole-1,5-diamine has a molecular weight of 288.37 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-(4-fluoro-3-methylphenyl)imidazole-1,5-diamine is sourced from PubChem (CID 62506115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).