(2E)-2-(1H-imidazol-5-ylmethylidene)-3,4-dihydronaphthalen-1-one

C14H12N2O — CID 10376335

IUPAC(2E)-2-(1H-imidazol-5-ylmethylidene)-3,4-dihydronaphthalen-1-one
SMILESO=C1/C(=C/c2cnc[nH]2)CCc2ccccc21
InChIInChI=1S/C14H12N2O/c17-14-11(7-12-8-15-9-16-12)6-5-10-3-1-2-4-13(10)14/h1-4,7-9H,5-6H2,(H,15,16)/b11-7+
InChIKeySEHNFQNDEFTGRO-YRNVUSSQSA-N
MW224.26 g/mol
LogP2.62
Rot. Bonds1

About (2E)-2-(1H-imidazol-5-ylmethylidene)-3,4-dihydronaphthalen-1-one

(2E)-2-(1H-imidazol-5-ylmethylidene)-3,4-dihydronaphthalen-1-one (PubChem CID 10376335) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is (2E)-2-(1H-imidazol-5-ylmethylidene)-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name(2E)-2-(1H-imidazol-5-ylmethylidene)-3,4-dihydronaphthalen-1-one
PubChem CID10376335
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name(2E)-2-(1H-imidazol-5-ylmethylidene)-3,4-dihydronaphthalen-1-one
SMILESO=C1/C(=C/c2cnc[nH]2)CCc2ccccc21
InChIInChI=1S/C14H12N2O/c17-14-11(7-12-8-15-9-16-12)6-5-10-3-1-2-4-13(10)14/h1-4,7-9H,5-6H2,(H,15,16)/b11-7+
InChIKeySEHNFQNDEFTGRO-YRNVUSSQSA-N
XLogP2.62
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(1H-imidazol-4-yl)(phenyl)methanone
CID 556113
Imidazolylmethylenetetrahydronaphthalene 1b
CID 6540030
1-[3-(1H-imidazol-4-ylmethyl)phenyl]-3,3-dimethylbutan-1-one
CID 24825514
5-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-1H-imidazole
CID 6540031
(2Z)-2-(1H-imidazol-5-ylmethylidene)-3,4-dihydronaphthalen-1-one
CID 10013868
(E)-3-(1H-imidazol-2-yl)-1-(4-iodophenyl)prop-2-en-1-one
CID 44435170
(3Z,6Z)-3-[[3-(4-fluorobenzoyl)phenyl]methylidene]-6-(1H-imidazol-5-ylmethylidene)piperazine-2,5-dione
CID 156017442
N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]benzamide
CID 17873053
(E)-3-(1H-imidazol-2-yl)-1-phenylprop-2-en-1-one
CID 18782929
phenyl-(5-phenyl-1H-imidazol-2-yl)methanone
CID 459427
Histamine, N-benzoyl-
CID 565505
2-(1H-imidazol-2-yl)-1-phenyl-ethanone
CID 2443031

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(1H-imidazol-5-ylmethylidene)-3,4-dihydronaphthalen-1-one?
The IUPAC name of (2E)-2-(1H-imidazol-5-ylmethylidene)-3,4-dihydronaphthalen-1-one (CID 10376335) is (2E)-2-(1H-imidazol-5-ylmethylidene)-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for (2E)-2-(1H-imidazol-5-ylmethylidene)-3,4-dihydronaphthalen-1-one?
The canonical SMILES for (2E)-2-(1H-imidazol-5-ylmethylidene)-3,4-dihydronaphthalen-1-one is O=C1/C(=C/c2cnc[nH]2)CCc2ccccc21.
What is the InChIKey of (2E)-2-(1H-imidazol-5-ylmethylidene)-3,4-dihydronaphthalen-1-one?
The InChIKey is SEHNFQNDEFTGRO-YRNVUSSQSA-N. The full InChI is InChI=1S/C14H12N2O/c17-14-11(7-12-8-15-9-16-12)6-5-10-3-1-2-4-13(10)14/h1-4,7-9H,5-6H2,(H,15,16)/b11-7+.
What are the key properties of (2E)-2-(1H-imidazol-5-ylmethylidene)-3,4-dihydronaphthalen-1-one?
(2E)-2-(1H-imidazol-5-ylmethylidene)-3,4-dihydronaphthalen-1-one has a molecular weight of 224.26 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(1H-imidazol-5-ylmethylidene)-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 10376335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).