N-[[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]propan-1-amine

C14H18FN3 — CID 112679329

IUPACN-[[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nc(-c2ccccc2F)c(C)[nH]1
InChIInChI=1S/C14H18FN3/c1-3-8-16-9-13-17-10(2)14(18-13)11-6-4-5-7-12(11)15/h4-7,16H,3,8-9H2,1-2H3,(H,17,18)
InChIKeyKGQGWSYSTIOGQB-UHFFFAOYSA-N
MW247.32 g/mol
LogP3.02
Rot. Bonds5

About N-[[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]propan-1-amine

N-[[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]propan-1-amine (PubChem CID 112679329) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is N-[[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]propan-1-amine
PubChem CID112679329
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC NameN-[[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nc(-c2ccccc2F)c(C)[nH]1
InChIInChI=1S/C14H18FN3/c1-3-8-16-9-13-17-10(2)14(18-13)11-6-4-5-7-12(11)15/h4-7,16H,3,8-9H2,1-2H3,(H,17,18)
InChIKeyKGQGWSYSTIOGQB-UHFFFAOYSA-N
XLogP3.02
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine
CID 112679311
4-(2-fluorophenyl)-5-methyl-1H-imidazole-2-carbaldehyde
CID 112680136
4-(2-fluorophenyl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 112679327
N-[(4-cyclohexa-1,3-dien-1-yl-5-methyl-1H-imidazol-2-yl)methyl]propan-1-amine
CID 123687493
N-[[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methyl]ethanamine
CID 54850928
N-[[5-(2-fluorophenyl)-3-pyridinyl]methyl]propan-1-amine
CID 113469694
1-[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]-3-methylbutan-1-amine
CID 112679312
2-ethyl-6-(2-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine
CID 80975172
N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-2-fluoroaniline
CID 166242599
1-[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-methylmethanamine
CID 54850927
1-cyclopropyl-N-[[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]methanamine
CID 60866946
N-[[2-(2-chlorophenyl)-1H-imidazol-5-yl]methyl]propan-1-amine
CID 63109257

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]propan-1-amine (CID 112679329) is N-[[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]propan-1-amine is CCCNCc1nc(-c2ccccc2F)c(C)[nH]1.
What is the InChIKey of N-[[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]propan-1-amine?
The InChIKey is KGQGWSYSTIOGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-3-8-16-9-13-17-10(2)14(18-13)11-6-4-5-7-12(11)15/h4-7,16H,3,8-9H2,1-2H3,(H,17,18).
What are the key properties of N-[[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]propan-1-amine?
N-[[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]propan-1-amine has a molecular weight of 247.32 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 112679329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).