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

C18H19N3O — CID 18470010

IUPAC1-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(-c2ccc(NC3=NCCN3)cc2)cc1
InChIInChI=1S/C18H19N3O/c1-2-17(22)15-5-3-13(4-6-15)14-7-9-16(10-8-14)21-18-19-11-12-20-18/h3-10H,2,11-12H2,1H3,(H2,19,20,21)
InChIKeyZNRQLMCQGBDYOI-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.32
Rot. Bonds4

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

1-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]phenyl]propan-1-one (PubChem CID 18470010) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]phenyl]propan-1-one
PubChem CID18470010
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name1-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(-c2ccc(NC3=NCCN3)cc2)cc1
InChIInChI=1S/C18H19N3O/c1-2-17(22)15-5-3-13(4-6-15)14-7-9-16(10-8-14)21-18-19-11-12-20-18/h3-10H,2,11-12H2,1H3,(H2,19,20,21)
InChIKeyZNRQLMCQGBDYOI-UHFFFAOYSA-N
XLogP3.32
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(diethylamino)-1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one;hydroiodide
CID 3063152
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
3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-1-naphthalen-2-ylpropan-1-one
CID 18469982
1-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzene-1,3-dicarboxamide;dihydrochloride
CID 131880352
ethyl 3-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylanilino]-3-oxopropanoate
CID 11338495
but-2-enedioic acid;N-[4-[[4-(2-methylpropyl)phenyl]methyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
CID 69146440
N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-pyrazol-1-ylbenzamide;methane
CID 158896039
2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzamide
CID 122189110
bis(4-N-(4,5-dihydro-1H-imidazol-2-yl)-2,6-diethylbenzene-1,4-diamine);tetrahydrochloride
CID 70450555
1-(2,5-difluorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one
CID 18470005
N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-[3-hydroxy-2-(hydroxymethyl)propoxy]benzamide
CID 22246046

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]phenyl]propan-1-one?
The IUPAC name of 1-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]phenyl]propan-1-one (CID 18470010) is 1-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]phenyl]propan-1-one.
What is the SMILES notation for 1-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]phenyl]propan-1-one?
The canonical SMILES for 1-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]phenyl]propan-1-one is CCC(=O)c1ccc(-c2ccc(NC3=NCCN3)cc2)cc1.
What is the InChIKey of 1-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]phenyl]propan-1-one?
The InChIKey is ZNRQLMCQGBDYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-2-17(22)15-5-3-13(4-6-15)14-7-9-16(10-8-14)21-18-19-11-12-20-18/h3-10H,2,11-12H2,1H3,(H2,19,20,21).
What are the key properties of 1-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]phenyl]propan-1-one?
1-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]phenyl]propan-1-one has a molecular weight of 293.37 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]phenyl]propan-1-one is sourced from PubChem (CID 18470010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).