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

C22H21N3O — CID 18469982

IUPAC3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-1-naphthalen-2-ylpropan-1-one
SMILESO=C(CCc1ccc(NC2=NCCN2)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C22H21N3O/c26-21(19-9-8-17-3-1-2-4-18(17)15-19)12-7-16-5-10-20(11-6-16)25-22-23-13-14-24-22/h1-6,8-11,15H,7,12-14H2,(H2,23,24,25)
InChIKeyNSCJIDWFHUXEMG-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.03
Rot. Bonds5

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

3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-1-naphthalen-2-ylpropan-1-one (PubChem CID 18469982) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-1-naphthalen-2-ylpropan-1-one.

Molecular Properties

Compound Name3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-1-naphthalen-2-ylpropan-1-one
PubChem CID18469982
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-1-naphthalen-2-ylpropan-1-one
SMILESO=C(CCc1ccc(NC2=NCCN2)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C22H21N3O/c26-21(19-9-8-17-3-1-2-4-18(17)15-19)12-7-16-5-10-20(11-6-16)25-22-23-13-14-24-22/h1-6,8-11,15H,7,12-14H2,(H2,23,24,25)
InChIKeyNSCJIDWFHUXEMG-UHFFFAOYSA-N
XLogP4.03
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
1-(2,5-difluorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one
CID 18470005
3-(diethylamino)-1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one;hydroiodide
CID 3063152
1-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]phenyl]propan-1-one
CID 18470010
N-[4-[2-(4-aminophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
CID 44550829
1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzene-1,4-dicarboxamide;hydrochloride
CID 44531712
1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
N-naphthalen-2-yl-4,5-dihydro-1H-imidazole-2-carboxamide
CID 91901954
N-(2-aminophenyl)-4-(3-naphthalen-2-yl-3-oxopropyl)benzamide
CID 160785018
ethane;N-phenyl-4,5-dihydro-1H-imidazol-2-amine
CID 90984879
1-(6-bromonaphthalen-2-yl)-3-phenylpropan-1-one
CID 114962828
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 3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-1-naphthalen-2-ylpropan-1-one?
The IUPAC name of 3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-1-naphthalen-2-ylpropan-1-one (CID 18469982) is 3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-1-naphthalen-2-ylpropan-1-one.
What is the SMILES notation for 3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-1-naphthalen-2-ylpropan-1-one?
The canonical SMILES for 3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-1-naphthalen-2-ylpropan-1-one is O=C(CCc1ccc(NC2=NCCN2)cc1)c1ccc2ccccc2c1.
What is the InChIKey of 3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-1-naphthalen-2-ylpropan-1-one?
The InChIKey is NSCJIDWFHUXEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c26-21(19-9-8-17-3-1-2-4-18(17)15-19)12-7-16-5-10-20(11-6-16)25-22-23-13-14-24-22/h1-6,8-11,15H,7,12-14H2,(H2,23,24,25).
What are the key properties of 3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-1-naphthalen-2-ylpropan-1-one?
3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-1-naphthalen-2-ylpropan-1-one has a molecular weight of 343.43 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-1-naphthalen-2-ylpropan-1-one is sourced from PubChem (CID 18469982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).