1-cyclohexyl-N-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine

C17H22FN3 — CID 106560930

IUPAC1-cyclohexyl-N-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine
SMILESCc1cn(C2CCCCC2)c(NCc2cccc(F)c2)n1
InChIInChI=1S/C17H22FN3/c1-13-12-21(16-8-3-2-4-9-16)17(20-13)19-11-14-6-5-7-15(18)10-14/h5-7,10,12,16H,2-4,8-9,11H2,1H3,(H,19,20)
InChIKeyVCFWDYULCKQXNS-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.45
Rot. Bonds4

About 1-cyclohexyl-N-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine

1-cyclohexyl-N-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine (PubChem CID 106560930) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine
PubChem CID106560930
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name1-cyclohexyl-N-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine
SMILESCc1cn(C2CCCCC2)c(NCc2cccc(F)c2)n1
InChIInChI=1S/C17H22FN3/c1-13-12-21(16-8-3-2-4-9-16)17(20-13)19-11-14-6-5-7-15(18)10-14/h5-7,10,12,16H,2-4,8-9,11H2,1H3,(H,19,20)
InChIKeyVCFWDYULCKQXNS-UHFFFAOYSA-N
XLogP4.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-N-[(3-methoxyphenyl)methyl]-4-methylimidazol-2-amine
CID 106563505
1-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]-4-methylimidazol-2-amine
CID 106562530
1-cyclopentyl-4-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine
CID 106559875
1-cyclohexyl-N-ethyl-4-methylimidazol-2-amine
CID 106554643
1-cyclohexyl-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]imidazol-2-amine
CID 106564203
1-butyl-N-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine
CID 106560922
1-cyclopentyl-N-(5-fluoro-2-methylphenyl)-4-methylimidazol-2-amine
CID 106559274
1-cyclohexyl-4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-amine
CID 106567783
1-cyclooctyl-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106557175
1-cyclohexyl-N-(2,6-dimethylphenyl)-4-methylimidazol-2-amine
CID 106559772
N-cyclopentyl-1-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine
CID 106560946
1-cyclopentyl-N-(cyclopropylmethyl)-4-methylimidazol-2-amine
CID 106555211

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine?
The IUPAC name of 1-cyclohexyl-N-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine (CID 106560930) is 1-cyclohexyl-N-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-cyclohexyl-N-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine?
The canonical SMILES for 1-cyclohexyl-N-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine is Cc1cn(C2CCCCC2)c(NCc2cccc(F)c2)n1.
What is the InChIKey of 1-cyclohexyl-N-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine?
The InChIKey is VCFWDYULCKQXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-13-12-21(16-8-3-2-4-9-16)17(20-13)19-11-14-6-5-7-15(18)10-14/h5-7,10,12,16H,2-4,8-9,11H2,1H3,(H,19,20).
What are the key properties of 1-cyclohexyl-N-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine?
1-cyclohexyl-N-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine has a molecular weight of 287.38 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine is sourced from PubChem (CID 106560930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).