cyclohexyl-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]methanamine

C17H22FN3O — CID 67214797

IUPACcyclohexyl-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]methanamine
SMILESCOc1ccc(-c2cnc(C(N)C3CCCCC3)[nH]2)cc1F
InChIInChI=1S/C17H22FN3O/c1-22-15-8-7-12(9-13(15)18)14-10-20-17(21-14)16(19)11-5-3-2-4-6-11/h7-11,16H,2-6,19H2,1H3,(H,20,21)
InChIKeyRMFFDXNTFRAESU-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.80
Rot. Bonds4

About cyclohexyl-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]methanamine

cyclohexyl-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]methanamine (PubChem CID 67214797) has the molecular formula C17H22FN3O and a molecular weight of 303.38 g/mol. Its IUPAC name is cyclohexyl-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]methanamine.

Molecular Properties

Compound Namecyclohexyl-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]methanamine
PubChem CID67214797
Molecular FormulaC17H22FN3O
Molecular Weight303.38 g/mol
Exact Mass303.17
IUPAC Namecyclohexyl-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]methanamine
SMILESCOc1ccc(-c2cnc(C(N)C3CCCCC3)[nH]2)cc1F
InChIInChI=1S/C17H22FN3O/c1-22-15-8-7-12(9-13(15)18)14-10-20-17(21-14)16(19)11-5-3-2-4-6-11/h7-11,16H,2-6,19H2,1H3,(H,20,21)
InChIKeyRMFFDXNTFRAESU-UHFFFAOYSA-N
XLogP3.80
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]propan-1-amine
CID 65233281
(S)-cyclopropyl-[5-(4-fluorophenyl)-1H-imidazol-2-yl]methanamine
CID 67214433
6-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]hexan-1-amine
CID 43651738
(1R)-2-cyclohexyl-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethanamine
CID 67214244
1-cyclohexyl-N-(cyclopropylmethyl)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]methanamine
CID 67214444
(1S)-1-cyclohexyl-N-(cyclopropylmethyl)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]methanamine
CID 67214443
(R)-cyclohexyl-(5-fluoro-2-methoxyphenyl)methanamine
CID 93023442
cyclohexyl-(4-fluoro-3-methoxyphenyl)methanamine
CID 83824510
1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 65398856
5-(3-fluoro-4-propan-2-yloxyphenyl)-1H-imidazol-2-amine
CID 82291079
1-[5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine
CID 43651303
N-[[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]methyl]-2-methoxyethanamine
CID 63956925

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]methanamine?
The IUPAC name of cyclohexyl-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]methanamine (CID 67214797) is cyclohexyl-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]methanamine.
What is the SMILES notation for cyclohexyl-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]methanamine?
The canonical SMILES for cyclohexyl-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]methanamine is COc1ccc(-c2cnc(C(N)C3CCCCC3)[nH]2)cc1F.
What is the InChIKey of cyclohexyl-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]methanamine?
The InChIKey is RMFFDXNTFRAESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O/c1-22-15-8-7-12(9-13(15)18)14-10-20-17(21-14)16(19)11-5-3-2-4-6-11/h7-11,16H,2-6,19H2,1H3,(H,20,21).
What are the key properties of cyclohexyl-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]methanamine?
cyclohexyl-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]methanamine has a molecular weight of 303.38 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]methanamine is sourced from PubChem (CID 67214797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).