N-ethyl-N-[8-[1-(1H-imidazol-5-yl)ethyl]naphthalen-2-yl]formamide

C18H19N3O — CID 143737745

IUPACN-ethyl-N-[8-[1-(1H-imidazol-5-yl)ethyl]naphthalen-2-yl]formamide
SMILESCCN(C=O)c1ccc2cccc(C(C)c3cnc[nH]3)c2c1
InChIInChI=1S/C18H19N3O/c1-3-21(12-22)15-8-7-14-5-4-6-16(17(14)9-15)13(2)18-10-19-11-20-18/h4-13H,3H2,1-2H3,(H,19,20)
InChIKeyFQRVJUJKAHRERP-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.70
Rot. Bonds5

About N-ethyl-N-[8-[1-(1H-imidazol-5-yl)ethyl]naphthalen-2-yl]formamide

N-ethyl-N-[8-[1-(1H-imidazol-5-yl)ethyl]naphthalen-2-yl]formamide (PubChem CID 143737745) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-ethyl-N-[8-[1-(1H-imidazol-5-yl)ethyl]naphthalen-2-yl]formamide.

Molecular Properties

Compound NameN-ethyl-N-[8-[1-(1H-imidazol-5-yl)ethyl]naphthalen-2-yl]formamide
PubChem CID143737745
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-ethyl-N-[8-[1-(1H-imidazol-5-yl)ethyl]naphthalen-2-yl]formamide
SMILESCCN(C=O)c1ccc2cccc(C(C)c3cnc[nH]3)c2c1
InChIInChI=1S/C18H19N3O/c1-3-21(12-22)15-8-7-14-5-4-6-16(17(14)9-15)13(2)18-10-19-11-20-18/h4-13H,3H2,1-2H3,(H,19,20)
InChIKeyFQRVJUJKAHRERP-UHFFFAOYSA-N
XLogP3.70
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(1-(1-Naphthyl)ethyl)imidazole
CID 132110
(S)-alpha-Amino-N-2-naphthyl-1H-imidazole-4-propionamide
CID 110993
1-(3,5-dimethylphenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one
CID 10779428
5-(1-naphthalen-1-ylethyl)-1H-imidazole
CID 132111
5-[(Z)-1-naphthalen-1-ylprop-1-enyl]-1H-imidazole
CID 9991628
4-(1-Naphthalen-1-yl-vinyl)-1H-imidazole
CID 10632725
5-(1-naphthalen-1-ylpropyl)-1H-imidazole
CID 10657471
3-ethyl-1-[6-methyl-5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 21365990
4-(naphthalen-2-yl)-1H-imidazole
CID 21772021
1,3-Diethyl-5-(5-m-tolyl-3H-imidazol-4-yl)-1,3-dihydro-benzoimidazol-2-one
CID 22063936
L-Histidine beta-naphthylamide
CID 688489
4-(2,3-Dihydro-1H-phenalen-1-yl)-1H-imidazole
CID 10513867

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[8-[1-(1H-imidazol-5-yl)ethyl]naphthalen-2-yl]formamide?
The IUPAC name of N-ethyl-N-[8-[1-(1H-imidazol-5-yl)ethyl]naphthalen-2-yl]formamide (CID 143737745) is N-ethyl-N-[8-[1-(1H-imidazol-5-yl)ethyl]naphthalen-2-yl]formamide.
What is the SMILES notation for N-ethyl-N-[8-[1-(1H-imidazol-5-yl)ethyl]naphthalen-2-yl]formamide?
The canonical SMILES for N-ethyl-N-[8-[1-(1H-imidazol-5-yl)ethyl]naphthalen-2-yl]formamide is CCN(C=O)c1ccc2cccc(C(C)c3cnc[nH]3)c2c1.
What is the InChIKey of N-ethyl-N-[8-[1-(1H-imidazol-5-yl)ethyl]naphthalen-2-yl]formamide?
The InChIKey is FQRVJUJKAHRERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-3-21(12-22)15-8-7-14-5-4-6-16(17(14)9-15)13(2)18-10-19-11-20-18/h4-13H,3H2,1-2H3,(H,19,20).
What are the key properties of N-ethyl-N-[8-[1-(1H-imidazol-5-yl)ethyl]naphthalen-2-yl]formamide?
N-ethyl-N-[8-[1-(1H-imidazol-5-yl)ethyl]naphthalen-2-yl]formamide has a molecular weight of 293.37 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[8-[1-(1H-imidazol-5-yl)ethyl]naphthalen-2-yl]formamide is sourced from PubChem (CID 143737745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).