1-cyclohexyl-N-(2,5-difluoro-4-methylphenyl)imidazol-2-amine

C16H19F2N3 — CID 106583654

IUPAC1-cyclohexyl-N-(2,5-difluoro-4-methylphenyl)imidazol-2-amine
SMILESCc1cc(F)c(Nc2nccn2C2CCCCC2)cc1F
InChIInChI=1S/C16H19F2N3/c1-11-9-14(18)15(10-13(11)17)20-16-19-7-8-21(16)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,19,20)
InChIKeyAVTLDGKVZXJQQL-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.72
Rot. Bonds3

About 1-cyclohexyl-N-(2,5-difluoro-4-methylphenyl)imidazol-2-amine

1-cyclohexyl-N-(2,5-difluoro-4-methylphenyl)imidazol-2-amine (PubChem CID 106583654) has the molecular formula C16H19F2N3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-cyclohexyl-N-(2,5-difluoro-4-methylphenyl)imidazol-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-(2,5-difluoro-4-methylphenyl)imidazol-2-amine
PubChem CID106583654
Molecular FormulaC16H19F2N3
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name1-cyclohexyl-N-(2,5-difluoro-4-methylphenyl)imidazol-2-amine
SMILESCc1cc(F)c(Nc2nccn2C2CCCCC2)cc1F
InChIInChI=1S/C16H19F2N3/c1-11-9-14(18)15(10-13(11)17)20-16-19-7-8-21(16)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,19,20)
InChIKeyAVTLDGKVZXJQQL-UHFFFAOYSA-N
XLogP4.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(2,5-difluoro-4-methylphenyl)imidazol-2-amine?
The IUPAC name of 1-cyclohexyl-N-(2,5-difluoro-4-methylphenyl)imidazol-2-amine (CID 106583654) is 1-cyclohexyl-N-(2,5-difluoro-4-methylphenyl)imidazol-2-amine.
What is the SMILES notation for 1-cyclohexyl-N-(2,5-difluoro-4-methylphenyl)imidazol-2-amine?
The canonical SMILES for 1-cyclohexyl-N-(2,5-difluoro-4-methylphenyl)imidazol-2-amine is Cc1cc(F)c(Nc2nccn2C2CCCCC2)cc1F.
What is the InChIKey of 1-cyclohexyl-N-(2,5-difluoro-4-methylphenyl)imidazol-2-amine?
The InChIKey is AVTLDGKVZXJQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3/c1-11-9-14(18)15(10-13(11)17)20-16-19-7-8-21(16)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,19,20).
What are the key properties of 1-cyclohexyl-N-(2,5-difluoro-4-methylphenyl)imidazol-2-amine?
1-cyclohexyl-N-(2,5-difluoro-4-methylphenyl)imidazol-2-amine has a molecular weight of 291.35 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(2,5-difluoro-4-methylphenyl)imidazol-2-amine is sourced from PubChem (CID 106583654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).