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

C15H19ClFN3 — CID 103049573

IUPACN-[2-[1-[(5-chloro-2-fluorophenyl)methyl]imidazol-4-yl]ethyl]propan-1-amine
SMILESCCCNCCc1cn(Cc2cc(Cl)ccc2F)cn1
InChIInChI=1S/C15H19ClFN3/c1-2-6-18-7-5-14-10-20(11-19-14)9-12-8-13(16)3-4-15(12)17/h3-4,8,10-11,18H,2,5-7,9H2,1H3
InChIKeyCVNFDZDCXRMFDY-UHFFFAOYSA-N
MW295.79 g/mol
LogP3.27
Rot. Bonds7

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

N-[2-[1-[(5-chloro-2-fluorophenyl)methyl]imidazol-4-yl]ethyl]propan-1-amine (PubChem CID 103049573) has the molecular formula C15H19ClFN3 and a molecular weight of 295.79 g/mol. Its IUPAC name is N-[2-[1-[(5-chloro-2-fluorophenyl)methyl]imidazol-4-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[1-[(5-chloro-2-fluorophenyl)methyl]imidazol-4-yl]ethyl]propan-1-amine
PubChem CID103049573
Molecular FormulaC15H19ClFN3
Molecular Weight295.79 g/mol
Exact Mass295.13
IUPAC NameN-[2-[1-[(5-chloro-2-fluorophenyl)methyl]imidazol-4-yl]ethyl]propan-1-amine
SMILESCCCNCCc1cn(Cc2cc(Cl)ccc2F)cn1
InChIInChI=1S/C15H19ClFN3/c1-2-6-18-7-5-14-10-20(11-19-14)9-12-8-13(16)3-4-15(12)17/h3-4,8,10-11,18H,2,5-7,9H2,1H3
InChIKeyCVNFDZDCXRMFDY-UHFFFAOYSA-N
XLogP3.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[1-[(2,4-dichlorophenyl)methyl]imidazol-4-yl]ethyl]propan-1-amine
CID 79986003
N-[2-[1-[(2-chloro-5-fluorophenyl)methyl]imidazol-4-yl]ethyl]propan-1-amine
CID 102619765
N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-4-yl]ethyl]propan-1-amine
CID 79985027
N-[2-(1-benzylimidazol-4-yl)ethyl]propan-1-amine
CID 79985350
2-[1-[(3-chloro-4-fluorophenyl)methyl]imidazol-4-yl]-N-ethylethanamine
CID 103040932
N-[2-[1-[(3-fluoro-4-methoxyphenyl)methyl]imidazol-4-yl]ethyl]propan-1-amine
CID 79971964
N-[[1-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106719188
N-[[1-[(4-chloro-2-nitrophenyl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106719100
N-[[1-[(4-bromo-2-fluorophenyl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106718946
N-[2-[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]ethyl]propan-1-amine
CID 79985929
N-[2-[1-[(3-bromothiophen-2-yl)methyl]imidazol-4-yl]ethyl]propan-1-amine
CID 79984951
N-[2-[1-[(5-bromo-3-pyridinyl)methyl]imidazol-4-yl]ethyl]propan-1-amine
CID 104810309

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(5-chloro-2-fluorophenyl)methyl]imidazol-4-yl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[1-[(5-chloro-2-fluorophenyl)methyl]imidazol-4-yl]ethyl]propan-1-amine (CID 103049573) is N-[2-[1-[(5-chloro-2-fluorophenyl)methyl]imidazol-4-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[1-[(5-chloro-2-fluorophenyl)methyl]imidazol-4-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[1-[(5-chloro-2-fluorophenyl)methyl]imidazol-4-yl]ethyl]propan-1-amine is CCCNCCc1cn(Cc2cc(Cl)ccc2F)cn1.
What is the InChIKey of N-[2-[1-[(5-chloro-2-fluorophenyl)methyl]imidazol-4-yl]ethyl]propan-1-amine?
The InChIKey is CVNFDZDCXRMFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN3/c1-2-6-18-7-5-14-10-20(11-19-14)9-12-8-13(16)3-4-15(12)17/h3-4,8,10-11,18H,2,5-7,9H2,1H3.
What are the key properties of N-[2-[1-[(5-chloro-2-fluorophenyl)methyl]imidazol-4-yl]ethyl]propan-1-amine?
N-[2-[1-[(5-chloro-2-fluorophenyl)methyl]imidazol-4-yl]ethyl]propan-1-amine has a molecular weight of 295.79 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(5-chloro-2-fluorophenyl)methyl]imidazol-4-yl]ethyl]propan-1-amine is sourced from PubChem (CID 103049573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).