(E)-N-(benzimidazol-1-yl)-3-naphthalen-1-ylprop-2-enamide

C20H15N3O — CID 24669674

IUPAC(E)-N-(benzimidazol-1-yl)-3-naphthalen-1-ylprop-2-enamide
SMILESO=C(/C=C/c1cccc2ccccc12)Nn1cnc2ccccc21
InChIInChI=1S/C20H15N3O/c24-20(22-23-14-21-18-10-3-4-11-19(18)23)13-12-16-8-5-7-15-6-1-2-9-17(15)16/h1-14H,(H,22,24)/b13-12+
InChIKeyXWSNBYOJMNIGIU-OUKQBFOZSA-N
MW313.36 g/mol
LogP3.97
Rot. Bonds3

About (E)-N-(benzimidazol-1-yl)-3-naphthalen-1-ylprop-2-enamide

(E)-N-(benzimidazol-1-yl)-3-naphthalen-1-ylprop-2-enamide (PubChem CID 24669674) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is (E)-N-(benzimidazol-1-yl)-3-naphthalen-1-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(benzimidazol-1-yl)-3-naphthalen-1-ylprop-2-enamide
PubChem CID24669674
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Name(E)-N-(benzimidazol-1-yl)-3-naphthalen-1-ylprop-2-enamide
SMILESO=C(/C=C/c1cccc2ccccc12)Nn1cnc2ccccc21
InChIInChI=1S/C20H15N3O/c24-20(22-23-14-21-18-10-3-4-11-19(18)23)13-12-16-8-5-7-15-6-1-2-9-17(15)16/h1-14H,(H,22,24)/b13-12+
InChIKeyXWSNBYOJMNIGIU-OUKQBFOZSA-N
XLogP3.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.97
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

(E)-N-(benzimidazol-1-yl)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 24669672
(E)-N-(benzimidazol-1-yl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 34329231
(E)-N-(benzimidazol-1-yl)-3-(5-bromothiophen-2-yl)prop-2-enamide
CID 34332967
(E)-N-(benzimidazol-1-yl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 34335213
(E)-N-(benzimidazol-1-yl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide
CID 34326933
3-naphthalen-1-yl-N-[2-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]prop-2-enamide
CID 4233655
N-(benzimidazol-1-yl)acetamide
CID 2318657
(E)-N-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 102534918
(Z)-N-(1,3-benzothiazol-2-yl)-3-naphthalen-1-ylprop-2-enamide
CID 92898547
(E)-N-(benzimidazol-1-yl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide
CID 34332718
N-(benzimidazol-1-yl)-3-oxobutanamide
CID 87961400
(E)-N-(benzimidazol-1-yl)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enamide
CID 34333370

Frequently Asked Questions

What is the IUPAC name of (E)-N-(benzimidazol-1-yl)-3-naphthalen-1-ylprop-2-enamide?
The IUPAC name of (E)-N-(benzimidazol-1-yl)-3-naphthalen-1-ylprop-2-enamide (CID 24669674) is (E)-N-(benzimidazol-1-yl)-3-naphthalen-1-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(benzimidazol-1-yl)-3-naphthalen-1-ylprop-2-enamide?
The canonical SMILES for (E)-N-(benzimidazol-1-yl)-3-naphthalen-1-ylprop-2-enamide is O=C(/C=C/c1cccc2ccccc12)Nn1cnc2ccccc21.
What is the InChIKey of (E)-N-(benzimidazol-1-yl)-3-naphthalen-1-ylprop-2-enamide?
The InChIKey is XWSNBYOJMNIGIU-OUKQBFOZSA-N. The full InChI is InChI=1S/C20H15N3O/c24-20(22-23-14-21-18-10-3-4-11-19(18)23)13-12-16-8-5-7-15-6-1-2-9-17(15)16/h1-14H,(H,22,24)/b13-12+.
What are the key properties of (E)-N-(benzimidazol-1-yl)-3-naphthalen-1-ylprop-2-enamide?
(E)-N-(benzimidazol-1-yl)-3-naphthalen-1-ylprop-2-enamide has a molecular weight of 313.36 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(benzimidazol-1-yl)-3-naphthalen-1-ylprop-2-enamide is sourced from PubChem (CID 24669674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).