1-cyclopentyl-N-(3-fluoro-4-methoxyphenyl)-4-methylimidazol-2-amine

C16H20FN3O — CID 106561849

IUPAC1-cyclopentyl-N-(3-fluoro-4-methoxyphenyl)-4-methylimidazol-2-amine
SMILESCOc1ccc(Nc2nc(C)cn2C2CCCC2)cc1F
InChIInChI=1S/C16H20FN3O/c1-11-10-20(13-5-3-4-6-13)16(18-11)19-12-7-8-15(21-2)14(17)9-12/h7-10,13H,3-6H2,1-2H3,(H,18,19)
InChIKeyGKUXTGDUDAHHIW-UHFFFAOYSA-N
MW289.35 g/mol
LogP4.20
Rot. Bonds4

About 1-cyclopentyl-N-(3-fluoro-4-methoxyphenyl)-4-methylimidazol-2-amine

1-cyclopentyl-N-(3-fluoro-4-methoxyphenyl)-4-methylimidazol-2-amine (PubChem CID 106561849) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 1-cyclopentyl-N-(3-fluoro-4-methoxyphenyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-cyclopentyl-N-(3-fluoro-4-methoxyphenyl)-4-methylimidazol-2-amine
PubChem CID106561849
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name1-cyclopentyl-N-(3-fluoro-4-methoxyphenyl)-4-methylimidazol-2-amine
SMILESCOc1ccc(Nc2nc(C)cn2C2CCCC2)cc1F
InChIInChI=1S/C16H20FN3O/c1-11-10-20(13-5-3-4-6-13)16(18-11)19-12-7-8-15(21-2)14(17)9-12/h7-10,13H,3-6H2,1-2H3,(H,18,19)
InChIKeyGKUXTGDUDAHHIW-UHFFFAOYSA-N
XLogP4.20
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-N-(3,4-difluorophenyl)-4-methylimidazol-2-amine
CID 106558163
N-(4-bromo-3-fluorophenyl)-1-cyclohexyl-4-methylimidazol-2-amine
CID 106574225
N-(3-bromo-4-methylphenyl)-1-cyclohexyl-4-methylimidazol-2-amine
CID 106572988
N-(4-bromo-3-methylphenyl)-1-cyclohexyl-4-methylimidazol-2-amine
CID 106557012
1-cyclohexyl-N-(3-fluoro-2-methylphenyl)-4-methylimidazol-2-amine
CID 106564039
N-(3-chloro-5-fluorophenyl)-1-cyclopentyl-4-methylimidazol-2-amine
CID 107371322
1-cyclopropyl-4-methyl-N-naphthalen-2-ylimidazol-2-amine
CID 106565468
1-cyclopentyl-N-(5-fluoro-2-methylphenyl)-4-methylimidazol-2-amine
CID 106559274
N-(4-bromo-2,5-difluorophenyl)-1-cyclopentyl-4-methylimidazol-2-amine
CID 107608647
1-cyclopentyl-N-(2,6-dichloro-4-fluorophenyl)-4-methylimidazol-2-amine
CID 106578790
1-cyclohexyl-N-(2,6-dimethylphenyl)-4-methylimidazol-2-amine
CID 106559772
N-(1-cyclopropyl-4-methylimidazol-2-yl)-5-fluoropyridin-3-amine
CID 114254403

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(3-fluoro-4-methoxyphenyl)-4-methylimidazol-2-amine?
The IUPAC name of 1-cyclopentyl-N-(3-fluoro-4-methoxyphenyl)-4-methylimidazol-2-amine (CID 106561849) is 1-cyclopentyl-N-(3-fluoro-4-methoxyphenyl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-cyclopentyl-N-(3-fluoro-4-methoxyphenyl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-cyclopentyl-N-(3-fluoro-4-methoxyphenyl)-4-methylimidazol-2-amine is COc1ccc(Nc2nc(C)cn2C2CCCC2)cc1F.
What is the InChIKey of 1-cyclopentyl-N-(3-fluoro-4-methoxyphenyl)-4-methylimidazol-2-amine?
The InChIKey is GKUXTGDUDAHHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-11-10-20(13-5-3-4-6-13)16(18-11)19-12-7-8-15(21-2)14(17)9-12/h7-10,13H,3-6H2,1-2H3,(H,18,19).
What are the key properties of 1-cyclopentyl-N-(3-fluoro-4-methoxyphenyl)-4-methylimidazol-2-amine?
1-cyclopentyl-N-(3-fluoro-4-methoxyphenyl)-4-methylimidazol-2-amine has a molecular weight of 289.35 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(3-fluoro-4-methoxyphenyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106561849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).