1-naphthalen-2-yl-2-[3-[(2-phenyl-1-benzofuran-3-yl)methyl]benzimidazol-3-ium-1-yl]ethanone

C34H25N2O2+ — CID 71726677

IUPAC1-naphthalen-2-yl-2-[3-[(2-phenyl-1-benzofuran-3-yl)methyl]benzimidazol-3-ium-1-yl]ethanone
SMILESO=C(Cn1c[n+](Cc2c(-c3ccccc3)oc3ccccc23)c2ccccc21)c1ccc2ccccc2c1
InChIInChI=1S/C34H25N2O2/c37-32(27-19-18-24-10-4-5-13-26(24)20-27)22-36-23-35(30-15-7-8-16-31(30)36)21-29-28-14-6-9-17-33(28)38-34(29)25-11-2-1-3-12-25/h1-20,23H,21-22H2/q+1
InChIKeyWHWJZYUNJVZQCJ-UHFFFAOYSA-N
MW493.59 g/mol
LogP7.43
Rot. Bonds6

About 1-naphthalen-2-yl-2-[3-[(2-phenyl-1-benzofuran-3-yl)methyl]benzimidazol-3-ium-1-yl]ethanone

1-naphthalen-2-yl-2-[3-[(2-phenyl-1-benzofuran-3-yl)methyl]benzimidazol-3-ium-1-yl]ethanone (PubChem CID 71726677) has the molecular formula C34H25N2O2+ and a molecular weight of 493.59 g/mol. Its IUPAC name is 1-naphthalen-2-yl-2-[3-[(2-phenyl-1-benzofuran-3-yl)methyl]benzimidazol-3-ium-1-yl]ethanone.

Molecular Properties

Compound Name1-naphthalen-2-yl-2-[3-[(2-phenyl-1-benzofuran-3-yl)methyl]benzimidazol-3-ium-1-yl]ethanone
PubChem CID71726677
Molecular FormulaC34H25N2O2+
Molecular Weight493.59 g/mol
Exact Mass493.19
IUPAC Name1-naphthalen-2-yl-2-[3-[(2-phenyl-1-benzofuran-3-yl)methyl]benzimidazol-3-ium-1-yl]ethanone
SMILESO=C(Cn1c[n+](Cc2c(-c3ccccc3)oc3ccccc23)c2ccccc21)c1ccc2ccccc2c1
InChIInChI=1S/C34H25N2O2/c37-32(27-19-18-24-10-4-5-13-26(24)20-27)22-36-23-35(30-15-7-8-16-31(30)36)21-29-28-14-6-9-17-33(28)38-34(29)25-11-2-1-3-12-25/h1-20,23H,21-22H2/q+1
InChIKeyWHWJZYUNJVZQCJ-UHFFFAOYSA-N
XLogP7.43
TPSA39.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.59
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-naphthalen-2-yl-2-[3-[(2-phenyl-1-benzofuran-3-yl)methyl]benzimidazol-3-ium-1-yl]ethanone with MolForge

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Related Compounds

1-benzyl-3-[(2-phenyl-1-benzofuran-3-yl)methyl]benzimidazol-1-ium
CID 71726679
2-(3-benzylbenzimidazol-3-ium-1-yl)-1-(4-phenylphenyl)ethanone
CID 51056529
2-[2-ethyl-3-[(2-phenyl-1-benzofuran-3-yl)methyl]imidazol-3-ium-1-yl]-1-(4-fluorophenyl)ethanone
CID 71726799
2-[2-ethyl-3-[(2-phenyl-1-benzofuran-3-yl)methyl]imidazol-3-ium-1-yl]-1-(4-fluorophenyl)ethanone bromide
CID 71726798
2-[3-(1-benzofuran-2-ylmethyl)benzimidazol-1-ium-1-yl]-1-phenylethanone
CID 73352346
2-[3-[1-benzofuran-2-yl(phenyl)methyl]benzimidazol-1-ium-1-yl]-1-naphthalen-2-ylethanone bromide
CID 71510047
1-naphthalen-2-yl-2-(2-phenylquinolin-4-yl)ethanone
CID 135034335
1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
2-(4-methylquinolin-1-ium-1-yl)-1-naphthalen-2-ylethanone
CID 4592778
3-phenacyloxy-2-phenylchromen-4-one
CID 7730834
(4-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone
CID 6613416
3-(2-naphthalen-2-yl-2-oxoethyl)-2-oxo-1,3-benzoxazole-5-carbonitrile
CID 155555839

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-2-[3-[(2-phenyl-1-benzofuran-3-yl)methyl]benzimidazol-3-ium-1-yl]ethanone?
The IUPAC name of 1-naphthalen-2-yl-2-[3-[(2-phenyl-1-benzofuran-3-yl)methyl]benzimidazol-3-ium-1-yl]ethanone (CID 71726677) is 1-naphthalen-2-yl-2-[3-[(2-phenyl-1-benzofuran-3-yl)methyl]benzimidazol-3-ium-1-yl]ethanone.
What is the SMILES notation for 1-naphthalen-2-yl-2-[3-[(2-phenyl-1-benzofuran-3-yl)methyl]benzimidazol-3-ium-1-yl]ethanone?
The canonical SMILES for 1-naphthalen-2-yl-2-[3-[(2-phenyl-1-benzofuran-3-yl)methyl]benzimidazol-3-ium-1-yl]ethanone is O=C(Cn1c[n+](Cc2c(-c3ccccc3)oc3ccccc23)c2ccccc21)c1ccc2ccccc2c1.
What is the InChIKey of 1-naphthalen-2-yl-2-[3-[(2-phenyl-1-benzofuran-3-yl)methyl]benzimidazol-3-ium-1-yl]ethanone?
The InChIKey is WHWJZYUNJVZQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25N2O2/c37-32(27-19-18-24-10-4-5-13-26(24)20-27)22-36-23-35(30-15-7-8-16-31(30)36)21-29-28-14-6-9-17-33(28)38-34(29)25-11-2-1-3-12-25/h1-20,23H,21-22H2/q+1.
What are the key properties of 1-naphthalen-2-yl-2-[3-[(2-phenyl-1-benzofuran-3-yl)methyl]benzimidazol-3-ium-1-yl]ethanone?
1-naphthalen-2-yl-2-[3-[(2-phenyl-1-benzofuran-3-yl)methyl]benzimidazol-3-ium-1-yl]ethanone has a molecular weight of 493.59 g/mol, XLogP of 7.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-2-[3-[(2-phenyl-1-benzofuran-3-yl)methyl]benzimidazol-3-ium-1-yl]ethanone is sourced from PubChem (CID 71726677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).