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

C16H19ClFN3 — CID 106570212

IUPAC1-[(3-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-4-methylimidazol-2-amine
SMILESCc1cn(Cc2ccc(F)c(Cl)c2)c(NC2CCCC2)n1
InChIInChI=1S/C16H19ClFN3/c1-11-9-21(10-12-6-7-15(18)14(17)8-12)16(19-11)20-13-4-2-3-5-13/h6-9,13H,2-5,10H2,1H3,(H,19,20)
InChIKeyQFFSRSFLDFKEKV-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.39
Rot. Bonds4

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

1-[(3-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-4-methylimidazol-2-amine (PubChem CID 106570212) has the molecular formula C16H19ClFN3 and a molecular weight of 307.80 g/mol. Its IUPAC name is 1-[(3-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[(3-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-4-methylimidazol-2-amine
PubChem CID106570212
Molecular FormulaC16H19ClFN3
Molecular Weight307.80 g/mol
Exact Mass307.13
IUPAC Name1-[(3-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-4-methylimidazol-2-amine
SMILESCc1cn(Cc2ccc(F)c(Cl)c2)c(NC2CCCC2)n1
InChIInChI=1S/C16H19ClFN3/c1-11-9-21(10-12-6-7-15(18)14(17)8-12)16(19-11)20-13-4-2-3-5-13/h6-9,13H,2-5,10H2,1H3,(H,19,20)
InChIKeyQFFSRSFLDFKEKV-UHFFFAOYSA-N
XLogP4.39
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-1-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine
CID 106560946
1-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-N-propan-2-ylimidazol-2-amine
CID 106570211
1-benzyl-N-cyclohexyl-4-methylimidazol-2-amine
CID 106555915
1-[(3-bromophenyl)methyl]-N-cyclopentyl-4-methylimidazol-2-amine
CID 106569126
1-(4-chloro-2-fluorophenyl)-N-cyclopentyl-4-methylimidazol-2-amine
CID 106568966
N-cyclohexyl-1-[(4,5-dimethylthiophen-2-yl)methyl]-4-methylimidazol-2-amine
CID 106573878
1-[(5-chlorothiophen-2-yl)methyl]-N-cyclopropyl-4-methylimidazol-2-amine
CID 106575435
N-cyclopentyl-1-(3,5-dichloro-4-fluorophenyl)-4-methylimidazol-2-amine
CID 107581397
N-cyclooctyl-4-methyl-1-propylimidazol-2-amine
CID 106557173
N-cyclopropyl-4-methyl-1-(pyridin-3-ylmethyl)imidazol-2-amine
CID 106560493
N-cyclopentyl-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106554862
N-cyclopentyl-4-methyl-1-(4,4,4-trifluorobutyl)imidazol-2-amine
CID 106579134

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-4-methylimidazol-2-amine?
The IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-4-methylimidazol-2-amine (CID 106570212) is 1-[(3-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[(3-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-4-methylimidazol-2-amine?
The canonical SMILES for 1-[(3-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-4-methylimidazol-2-amine is Cc1cn(Cc2ccc(F)c(Cl)c2)c(NC2CCCC2)n1.
What is the InChIKey of 1-[(3-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-4-methylimidazol-2-amine?
The InChIKey is QFFSRSFLDFKEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN3/c1-11-9-21(10-12-6-7-15(18)14(17)8-12)16(19-11)20-13-4-2-3-5-13/h6-9,13H,2-5,10H2,1H3,(H,19,20).
What are the key properties of 1-[(3-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-4-methylimidazol-2-amine?
1-[(3-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-4-methylimidazol-2-amine has a molecular weight of 307.80 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-4-methylimidazol-2-amine is sourced from PubChem (CID 106570212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).