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

C16H20FN3 — CID 106560946

IUPACN-cyclopentyl-1-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine
SMILESCc1cn(Cc2cccc(F)c2)c(NC2CCCC2)n1
InChIInChI=1S/C16H20FN3/c1-12-10-20(11-13-5-4-6-14(17)9-13)16(18-12)19-15-7-2-3-8-15/h4-6,9-10,15H,2-3,7-8,11H2,1H3,(H,18,19)
InChIKeySTSHRJJWCOYLIR-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.73
Rot. Bonds4

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

N-cyclopentyl-1-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine (PubChem CID 106560946) has the molecular formula C16H20FN3 and a molecular weight of 273.35 g/mol. Its IUPAC name is N-cyclopentyl-1-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-1-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine
PubChem CID106560946
Molecular FormulaC16H20FN3
Molecular Weight273.35 g/mol
Exact Mass273.16
IUPAC NameN-cyclopentyl-1-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine
SMILESCc1cn(Cc2cccc(F)c2)c(NC2CCCC2)n1
InChIInChI=1S/C16H20FN3/c1-12-10-20(11-13-5-4-6-14(17)9-13)16(18-12)19-15-7-2-3-8-15/h4-6,9-10,15H,2-3,7-8,11H2,1H3,(H,18,19)
InChIKeySTSHRJJWCOYLIR-UHFFFAOYSA-N
XLogP3.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-bromophenyl)methyl]-N-cyclopentyl-4-methylimidazol-2-amine
CID 106569126
1-benzyl-N-cyclohexyl-4-methylimidazol-2-amine
CID 106555915
1-[(3-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-4-methylimidazol-2-amine
CID 106570212
1-[(3-fluorophenyl)methyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106560953
N-cyclopropyl-4-methyl-1-(pyridin-3-ylmethyl)imidazol-2-amine
CID 106560493
N-cyclohexyl-1-[(4,5-dimethylthiophen-2-yl)methyl]-4-methylimidazol-2-amine
CID 106573878
1-cyclohexyl-N-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine
CID 106560930
N-cyclooctyl-4-methyl-1-propylimidazol-2-amine
CID 106557173
N-cyclopentyl-1-[2-(3-fluorophenyl)ethyl]imidazol-2-amine
CID 106562507
N,4-dimethyl-1-[(3-methylphenyl)methyl]imidazol-2-amine
CID 106563226
N-cyclopentyl-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106554862
N-cyclopentyl-4-methyl-1-(2-pyrazol-1-ylethyl)imidazol-2-amine
CID 106568575

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine?
The IUPAC name of N-cyclopentyl-1-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine (CID 106560946) is N-cyclopentyl-1-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine.
What is the SMILES notation for N-cyclopentyl-1-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine?
The canonical SMILES for N-cyclopentyl-1-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine is Cc1cn(Cc2cccc(F)c2)c(NC2CCCC2)n1.
What is the InChIKey of N-cyclopentyl-1-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine?
The InChIKey is STSHRJJWCOYLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-12-10-20(11-13-5-4-6-14(17)9-13)16(18-12)19-15-7-2-3-8-15/h4-6,9-10,15H,2-3,7-8,11H2,1H3,(H,18,19).
What are the key properties of N-cyclopentyl-1-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine?
N-cyclopentyl-1-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine has a molecular weight of 273.35 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine is sourced from PubChem (CID 106560946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).