1-[5-[3-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-3-methoxypropan-1-amine

C14H17F2N3O2 — CID 62476310

IUPAC1-[5-[3-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-3-methoxypropan-1-amine
SMILESCOCCC(N)c1ncc(-c2cccc(OC(F)F)c2)[nH]1
InChIInChI=1S/C14H17F2N3O2/c1-20-6-5-11(17)13-18-8-12(19-13)9-3-2-4-10(7-9)21-14(15)16/h2-4,7-8,11,14H,5-6,17H2,1H3,(H,18,19)
InChIKeyNKOUJTPDFGXILL-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.71
Rot. Bonds7

About 1-[5-[3-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-3-methoxypropan-1-amine

1-[5-[3-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-3-methoxypropan-1-amine (PubChem CID 62476310) has the molecular formula C14H17F2N3O2 and a molecular weight of 297.31 g/mol. Its IUPAC name is 1-[5-[3-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-3-methoxypropan-1-amine.

Molecular Properties

Compound Name1-[5-[3-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-3-methoxypropan-1-amine
PubChem CID62476310
Molecular FormulaC14H17F2N3O2
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name1-[5-[3-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-3-methoxypropan-1-amine
SMILESCOCCC(N)c1ncc(-c2cccc(OC(F)F)c2)[nH]1
InChIInChI=1S/C14H17F2N3O2/c1-20-6-5-11(17)13-18-8-12(19-13)9-3-2-4-10(7-9)21-14(15)16/h2-4,7-8,11,14H,5-6,17H2,1H3,(H,18,19)
InChIKeyNKOUJTPDFGXILL-UHFFFAOYSA-N
XLogP2.71
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine
CID 62476983
1-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine
CID 62476987
1-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine
CID 62477508
2-amino-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]acetic acid
CID 116881507
3-methoxy-1-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]propan-1-amine
CID 62475459
5-(3-methoxyphenyl)-2-propan-2-yl-1H-imidazole
CID 166267490
1-[3-(difluoromethoxy)phenyl]-2-methoxyethanamine
CID 112684585
2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 65230758
(1S)-1-(5-phenyl-1H-imidazol-2-yl)pentan-1-amine
CID 67213867
1-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-2-methylbutan-1-amine
CID 43651492
(1S)-1-[5-(3-bromophenyl)-1H-imidazol-2-yl]heptan-1-amine
CID 67214458
5-[3-(difluoromethoxy)phenyl]-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61366282

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-3-methoxypropan-1-amine?
The IUPAC name of 1-[5-[3-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-3-methoxypropan-1-amine (CID 62476310) is 1-[5-[3-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-3-methoxypropan-1-amine.
What is the SMILES notation for 1-[5-[3-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-3-methoxypropan-1-amine?
The canonical SMILES for 1-[5-[3-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-3-methoxypropan-1-amine is COCCC(N)c1ncc(-c2cccc(OC(F)F)c2)[nH]1.
What is the InChIKey of 1-[5-[3-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-3-methoxypropan-1-amine?
The InChIKey is NKOUJTPDFGXILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O2/c1-20-6-5-11(17)13-18-8-12(19-13)9-3-2-4-10(7-9)21-14(15)16/h2-4,7-8,11,14H,5-6,17H2,1H3,(H,18,19).
What are the key properties of 1-[5-[3-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-3-methoxypropan-1-amine?
1-[5-[3-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-3-methoxypropan-1-amine has a molecular weight of 297.31 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-3-methoxypropan-1-amine is sourced from PubChem (CID 62476310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).