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

C16H19ClFN3 — CID 106570228

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-1-cyclohexylimidazol-2-amine
SMILESFc1ccc(CNc2nccn2C2CCCCC2)cc1Cl
InChIInChI=1S/C16H19ClFN3/c17-14-10-12(6-7-15(14)18)11-20-16-19-8-9-21(16)13-4-2-1-3-5-13/h6-10,13H,1-5,11H2,(H,19,20)
InChIKeyIRYMFPUMKOUPJA-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.79
Rot. Bonds4

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

N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclohexylimidazol-2-amine (PubChem CID 106570228) has the molecular formula C16H19ClFN3 and a molecular weight of 307.80 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclohexylimidazol-2-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-1-cyclohexylimidazol-2-amine
PubChem CID106570228
Molecular FormulaC16H19ClFN3
Molecular Weight307.80 g/mol
Exact Mass307.13
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-1-cyclohexylimidazol-2-amine
SMILESFc1ccc(CNc2nccn2C2CCCCC2)cc1Cl
InChIInChI=1S/C16H19ClFN3/c17-14-10-12(6-7-15(14)18)11-20-16-19-8-9-21(16)13-4-2-1-3-5-13/h6-10,13H,1-5,11H2,(H,19,20)
InChIKeyIRYMFPUMKOUPJA-UHFFFAOYSA-N
XLogP4.79
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 ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-N-[(3,4-difluorophenyl)methyl]imidazol-2-amine
CID 106565229
1-cyclohexyl-N-[(4-fluorophenyl)methyl]imidazol-2-amine
CID 106558880
N-[(3-chloro-4-fluorophenyl)methyl]-1-ethylimidazol-2-amine
CID 62539605
N-benzyl-1-cyclopropylimidazol-2-amine
CID 106555906
1-cyclohexyl-N-(2,5-difluorophenyl)imidazol-2-amine
CID 106556886
1-cyclopropyl-N-[(2-fluorophenyl)methyl]imidazol-2-amine
CID 106559126
1-cyclohexyl-N-[(1-methylpyrazol-3-yl)methyl]imidazol-2-amine
CID 106579096
N-(2-chloro-6-fluorophenyl)-1-cyclopentylimidazol-2-amine
CID 106582343
1-cyclohexyl-N-[(2-ethylphenyl)methyl]imidazol-2-amine
CID 106574558
N-(3-chloro-5-fluorophenyl)-1-cyclohexylimidazol-2-amine
CID 107371348
N-[(3-chloro-4-fluorophenyl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106570194
1-cyclopentyl-N-(2,5-difluorophenyl)imidazol-2-amine
CID 106556885

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclohexylimidazol-2-amine?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclohexylimidazol-2-amine (CID 106570228) is N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclohexylimidazol-2-amine.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclohexylimidazol-2-amine?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclohexylimidazol-2-amine is Fc1ccc(CNc2nccn2C2CCCCC2)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclohexylimidazol-2-amine?
The InChIKey is IRYMFPUMKOUPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN3/c17-14-10-12(6-7-15(14)18)11-20-16-19-8-9-21(16)13-4-2-1-3-5-13/h6-10,13H,1-5,11H2,(H,19,20).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclohexylimidazol-2-amine?
N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclohexylimidazol-2-amine has a molecular weight of 307.80 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclohexylimidazol-2-amine is sourced from PubChem (CID 106570228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).