1-cyclohexyl-N-[(4-fluorophenyl)methyl]imidazol-2-amine

C16H20FN3 — CID 106558880

IUPAC1-cyclohexyl-N-[(4-fluorophenyl)methyl]imidazol-2-amine
SMILESFc1ccc(CNc2nccn2C2CCCCC2)cc1
InChIInChI=1S/C16H20FN3/c17-14-8-6-13(7-9-14)12-19-16-18-10-11-20(16)15-4-2-1-3-5-15/h6-11,15H,1-5,12H2,(H,18,19)
InChIKeyJHNZIKFHYZZRPA-UHFFFAOYSA-N
MW273.36 g/mol
LogP4.14
Rot. Bonds4

About 1-cyclohexyl-N-[(4-fluorophenyl)methyl]imidazol-2-amine

1-cyclohexyl-N-[(4-fluorophenyl)methyl]imidazol-2-amine (PubChem CID 106558880) has the molecular formula C16H20FN3 and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(4-fluorophenyl)methyl]imidazol-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-[(4-fluorophenyl)methyl]imidazol-2-amine
PubChem CID106558880
Molecular FormulaC16H20FN3
Molecular Weight273.36 g/mol
Exact Mass273.16
IUPAC Name1-cyclohexyl-N-[(4-fluorophenyl)methyl]imidazol-2-amine
SMILESFc1ccc(CNc2nccn2C2CCCCC2)cc1
InChIInChI=1S/C16H20FN3/c17-14-8-6-13(7-9-14)12-19-16-18-10-11-20(16)15-4-2-1-3-5-15/h6-11,15H,1-5,12H2,(H,18,19)
InChIKeyJHNZIKFHYZZRPA-UHFFFAOYSA-N
XLogP4.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(4-fluorophenyl)methyl]imidazol-2-amine?
The IUPAC name of 1-cyclohexyl-N-[(4-fluorophenyl)methyl]imidazol-2-amine (CID 106558880) is 1-cyclohexyl-N-[(4-fluorophenyl)methyl]imidazol-2-amine.
What is the SMILES notation for 1-cyclohexyl-N-[(4-fluorophenyl)methyl]imidazol-2-amine?
The canonical SMILES for 1-cyclohexyl-N-[(4-fluorophenyl)methyl]imidazol-2-amine is Fc1ccc(CNc2nccn2C2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-N-[(4-fluorophenyl)methyl]imidazol-2-amine?
The InChIKey is JHNZIKFHYZZRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c17-14-8-6-13(7-9-14)12-19-16-18-10-11-20(16)15-4-2-1-3-5-15/h6-11,15H,1-5,12H2,(H,18,19).
What are the key properties of 1-cyclohexyl-N-[(4-fluorophenyl)methyl]imidazol-2-amine?
1-cyclohexyl-N-[(4-fluorophenyl)methyl]imidazol-2-amine has a molecular weight of 273.36 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(4-fluorophenyl)methyl]imidazol-2-amine is sourced from PubChem (CID 106558880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).