(2E)-2-(1H-imidazol-5-ylmethylidene)-7-methoxy-3,4-dihydronaphthalen-1-one

C15H14N2O2 — CID 10332529

IUPAC(2E)-2-(1H-imidazol-5-ylmethylidene)-7-methoxy-3,4-dihydronaphthalen-1-one
SMILESCOc1ccc2c(c1)C(=O)/C(=C/c1cnc[nH]1)CC2
InChIInChI=1S/C15H14N2O2/c1-19-13-5-4-10-2-3-11(15(18)14(10)7-13)6-12-8-16-9-17-12/h4-9H,2-3H2,1H3,(H,16,17)/b11-6+
InChIKeySMXLWHUXYFZXHL-IZZDOVSWSA-N
MW254.29 g/mol
LogP2.63
Rot. Bonds2

About (2E)-2-(1H-imidazol-5-ylmethylidene)-7-methoxy-3,4-dihydronaphthalen-1-one

(2E)-2-(1H-imidazol-5-ylmethylidene)-7-methoxy-3,4-dihydronaphthalen-1-one (PubChem CID 10332529) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is (2E)-2-(1H-imidazol-5-ylmethylidene)-7-methoxy-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name(2E)-2-(1H-imidazol-5-ylmethylidene)-7-methoxy-3,4-dihydronaphthalen-1-one
PubChem CID10332529
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name(2E)-2-(1H-imidazol-5-ylmethylidene)-7-methoxy-3,4-dihydronaphthalen-1-one
SMILESCOc1ccc2c(c1)C(=O)/C(=C/c1cnc[nH]1)CC2
InChIInChI=1S/C15H14N2O2/c1-19-13-5-4-10-2-3-11(15(18)14(10)7-13)6-12-8-16-9-17-12/h4-9H,2-3H2,1H3,(H,16,17)/b11-6+
InChIKeySMXLWHUXYFZXHL-IZZDOVSWSA-N
XLogP2.63
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-(3-(1H-Imidazol-4-yl)propyloxy)phenyl)ethanone
CID 11776588
1h-Imidazol-4-yl(4-methoxyphenyl)methanone
CID 760231
1H-Imidazole, 4-((3,4-dihydro-6-methoxy-1-methyl-2-naphthalenyl)methyl)-
CID 10467502
Cyclopropyl-{4-[2-(1H-imidazol-4-yl)-ethoxy]-phenyl}-methanone
CID 10422544
5-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole
CID 10633117
4-[2-(4-Acetylphenoxy)ethyl]-1H-imidazole
CID 10680963
(E)-1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-3-phenylprop-2-en-1-one
CID 10688021
1-{4-[2-(1H-Imidazol-4-yl)-ethoxy]-phenyl}-propan-1-one
CID 10728982
4-[2-(4-Benzoylphenoxy)ethyl]-1H-imidazole
CID 10756060
4-[3-(3-ethanoylphenoxy)propyl]-1H-imidazole
CID 11459197
4-Hydroxy-1-{4-[3-(1H-imidazol-4-yl)-propoxy]-phenyl}-butan-1-one
CID 21193525
(3,4-dimethoxyphenyl)(1H-imidazol-5-yl)methanone
CID 1504505

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(1H-imidazol-5-ylmethylidene)-7-methoxy-3,4-dihydronaphthalen-1-one?
The IUPAC name of (2E)-2-(1H-imidazol-5-ylmethylidene)-7-methoxy-3,4-dihydronaphthalen-1-one (CID 10332529) is (2E)-2-(1H-imidazol-5-ylmethylidene)-7-methoxy-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for (2E)-2-(1H-imidazol-5-ylmethylidene)-7-methoxy-3,4-dihydronaphthalen-1-one?
The canonical SMILES for (2E)-2-(1H-imidazol-5-ylmethylidene)-7-methoxy-3,4-dihydronaphthalen-1-one is COc1ccc2c(c1)C(=O)/C(=C/c1cnc[nH]1)CC2.
What is the InChIKey of (2E)-2-(1H-imidazol-5-ylmethylidene)-7-methoxy-3,4-dihydronaphthalen-1-one?
The InChIKey is SMXLWHUXYFZXHL-IZZDOVSWSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-19-13-5-4-10-2-3-11(15(18)14(10)7-13)6-12-8-16-9-17-12/h4-9H,2-3H2,1H3,(H,16,17)/b11-6+.
What are the key properties of (2E)-2-(1H-imidazol-5-ylmethylidene)-7-methoxy-3,4-dihydronaphthalen-1-one?
(2E)-2-(1H-imidazol-5-ylmethylidene)-7-methoxy-3,4-dihydronaphthalen-1-one has a molecular weight of 254.29 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(1H-imidazol-5-ylmethylidene)-7-methoxy-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 10332529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).