3-imidazol-1-yl-1-naphthalen-2-ylpropan-1-one

C16H14N2O — CID 3058924

IUPAC3-imidazol-1-yl-1-naphthalen-2-ylpropan-1-one
SMILESO=C(CCn1ccnc1)c1ccc2ccccc2c1
InChIInChI=1S/C16H14N2O/c19-16(7-9-18-10-8-17-12-18)15-6-5-13-3-1-2-4-14(13)11-15/h1-6,8,10-12H,7,9H2
InChIKeyNWUMSFPZTJUANH-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.31
Rot. Bonds4

About 3-imidazol-1-yl-1-naphthalen-2-ylpropan-1-one

3-imidazol-1-yl-1-naphthalen-2-ylpropan-1-one (PubChem CID 3058924) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-imidazol-1-yl-1-naphthalen-2-ylpropan-1-one.

Molecular Properties

Compound Name3-imidazol-1-yl-1-naphthalen-2-ylpropan-1-one
PubChem CID3058924
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name3-imidazol-1-yl-1-naphthalen-2-ylpropan-1-one
SMILESO=C(CCn1ccnc1)c1ccc2ccccc2c1
InChIInChI=1S/C16H14N2O/c19-16(7-9-18-10-8-17-12-18)15-6-5-13-3-1-2-4-14(13)11-15/h1-6,8,10-12H,7,9H2
InChIKeyNWUMSFPZTJUANH-UHFFFAOYSA-N
XLogP3.31
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
[(Z)-(2-imidazol-1-yl-1-naphthalen-2-ylethylidene)amino] 4-oxo-4-phenylbutanoate
CID 70693342
1-(4-butylphenyl)-3-imidazol-1-ylpropan-1-one
CID 20518561
3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one
CID 2807050
(E)-N-(3-chloropropoxy)-2-imidazol-1-yl-1-naphthalen-2-ylethanimine;oxalic acid
CID 71608179
1-[4-(2-imidazol-1-ylethoxy)phenyl]-2-phenylethanone
CID 18518429
4-imidazol-1-yl-N-(naphthalen-2-ylmethyl)butan-1-amine
CID 61071099
1-[(E)-4-naphthalen-2-ylbut-3-enyl]imidazole
CID 12973087
trans-(1S,2S)-N-(3-imidazol-1-ylpropyl)-2-naphthalen-2-ylcyclopropane-1-carboxamide
CID 97084572
1-[2,3-bis(4-methylphenyl)quinoxalin-6-yl]-5-imidazol-1-ylpentan-1-one
CID 148658685
N-(3-imidazol-1-ylpropyl)isoquinoline-6-carboxamide
CID 110485164
5-(azepan-1-yl)-1-naphthalen-2-ylpentan-1-one
CID 59229826

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-1-naphthalen-2-ylpropan-1-one?
The IUPAC name of 3-imidazol-1-yl-1-naphthalen-2-ylpropan-1-one (CID 3058924) is 3-imidazol-1-yl-1-naphthalen-2-ylpropan-1-one.
What is the SMILES notation for 3-imidazol-1-yl-1-naphthalen-2-ylpropan-1-one?
The canonical SMILES for 3-imidazol-1-yl-1-naphthalen-2-ylpropan-1-one is O=C(CCn1ccnc1)c1ccc2ccccc2c1.
What is the InChIKey of 3-imidazol-1-yl-1-naphthalen-2-ylpropan-1-one?
The InChIKey is NWUMSFPZTJUANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c19-16(7-9-18-10-8-17-12-18)15-6-5-13-3-1-2-4-14(13)11-15/h1-6,8,10-12H,7,9H2.
What are the key properties of 3-imidazol-1-yl-1-naphthalen-2-ylpropan-1-one?
3-imidazol-1-yl-1-naphthalen-2-ylpropan-1-one has a molecular weight of 250.30 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-1-naphthalen-2-ylpropan-1-one is sourced from PubChem (CID 3058924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).