N-[2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine

C14H17F2N3 — CID 60854362

IUPACN-[2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine
SMILESCC(C)NCCc1ncc(-c2ccc(F)cc2F)[nH]1
InChIInChI=1S/C14H17F2N3/c1-9(2)17-6-5-14-18-8-13(19-14)11-4-3-10(15)7-12(11)16/h3-4,7-9,17H,5-6H2,1-2H3,(H,18,19)
InChIKeyVIALDPMLTBFPED-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.90
Rot. Bonds5

About N-[2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine

N-[2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine (PubChem CID 60854362) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine
PubChem CID60854362
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-[2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine
SMILESCC(C)NCCc1ncc(-c2ccc(F)cc2F)[nH]1
InChIInChI=1S/C14H17F2N3/c1-9(2)17-6-5-14-18-8-13(19-14)11-4-3-10(15)7-12(11)16/h3-4,7-9,17H,5-6H2,1-2H3,(H,18,19)
InChIKeyVIALDPMLTBFPED-UHFFFAOYSA-N
XLogP2.90
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60853832
N-[2-[5-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60854007
N-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60852379
N-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]propan-2-amine
CID 60852746
N-[2-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 63990888
3-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 60851712
N-[2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine
CID 60865893
N-[2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60852192
N-[2-(5-propyl-1H-imidazol-2-yl)ethyl]propan-2-amine
CID 114998586
N-[2-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60852920
N-[[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]methyl]-2-methylpropan-1-amine
CID 63925780
3-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 62138908

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine (CID 60854362) is N-[2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine is CC(C)NCCc1ncc(-c2ccc(F)cc2F)[nH]1.
What is the InChIKey of N-[2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine?
The InChIKey is VIALDPMLTBFPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3/c1-9(2)17-6-5-14-18-8-13(19-14)11-4-3-10(15)7-12(11)16/h3-4,7-9,17H,5-6H2,1-2H3,(H,18,19).
What are the key properties of N-[2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine?
N-[2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine has a molecular weight of 265.31 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine is sourced from PubChem (CID 60854362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).