1-(2,5-difluorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one

C18H17F2N3O — CID 18470005

IUPAC1-(2,5-difluorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one
SMILESO=C(CCc1ccc(NC2=NCCN2)cc1)c1cc(F)ccc1F
InChIInChI=1S/C18H17F2N3O/c19-13-4-7-16(20)15(11-13)17(24)8-3-12-1-5-14(6-2-12)23-18-21-9-10-22-18/h1-2,4-7,11H,3,8-10H2,(H2,21,22,23)
InChIKeySQORJZILDRMTMV-UHFFFAOYSA-N
MW329.35 g/mol
LogP3.15
Rot. Bonds5

About 1-(2,5-difluorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one

1-(2,5-difluorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one (PubChem CID 18470005) has the molecular formula C18H17F2N3O and a molecular weight of 329.35 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one
PubChem CID18470005
Molecular FormulaC18H17F2N3O
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name1-(2,5-difluorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one
SMILESO=C(CCc1ccc(NC2=NCCN2)cc1)c1cc(F)ccc1F
InChIInChI=1S/C18H17F2N3O/c19-13-4-7-16(20)15(11-13)17(24)8-3-12-1-5-14(6-2-12)23-18-21-9-10-22-18/h1-2,4-7,11H,3,8-10H2,(H2,21,22,23)
InChIKeySQORJZILDRMTMV-UHFFFAOYSA-N
XLogP3.15
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2,5-difluorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one with MolForge

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Related Compounds

1-(3,4-difluorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one;hydrochloride
CID 18469991
3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-1-naphthalen-2-ylpropan-1-one
CID 18469982
N-[4-[2-(4-aminophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
CID 44550829
1-(2,5-difluorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103007457
4-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide
CID 22245999
1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzene-1,4-dicarboxamide;hydrochloride
CID 44531712
2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzamide
CID 122189110
1-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzene-1,3-dicarboxamide;dihydrochloride
CID 131880352
1-(2,5-difluorophenyl)-3-(methylamino)propan-1-one
CID 82112284
N-[(3,4-difluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 115601420
1-(2,5-difluorophenyl)-4-hydroxybutan-1-one
CID 70946452
N-(4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
CID 52949076

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one?
The IUPAC name of 1-(2,5-difluorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one (CID 18470005) is 1-(2,5-difluorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one is O=C(CCc1ccc(NC2=NCCN2)cc1)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one?
The InChIKey is SQORJZILDRMTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O/c19-13-4-7-16(20)15(11-13)17(24)8-3-12-1-5-14(6-2-12)23-18-21-9-10-22-18/h1-2,4-7,11H,3,8-10H2,(H2,21,22,23).
What are the key properties of 1-(2,5-difluorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one?
1-(2,5-difluorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one has a molecular weight of 329.35 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one is sourced from PubChem (CID 18470005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).