[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate

C23H19N3O3 — CID 23999726

IUPAC[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate
SMILESCC(OC(=O)c1ccc(-c2ncc[nH]2)cc1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C23H19N3O3/c1-15(22(27)26-20-8-4-6-16-5-2-3-7-19(16)20)29-23(28)18-11-9-17(10-12-18)21-24-13-14-25-21/h2-15H,1H3,(H,24,25)(H,26,27)
InChIKeyHFVIGMLWDXEAEO-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.41
Rot. Bonds5

About [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate

[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate (PubChem CID 23999726) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate.

Molecular Properties

Compound Name[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate
PubChem CID23999726
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate
SMILESCC(OC(=O)c1ccc(-c2ncc[nH]2)cc1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C23H19N3O3/c1-15(22(27)26-20-8-4-6-16-5-2-3-7-19(16)20)29-23(28)18-11-9-17(10-12-18)21-24-13-14-25-21/h2-15H,1H3,(H,24,25)(H,26,27)
InChIKeyHFVIGMLWDXEAEO-UHFFFAOYSA-N
XLogP4.41
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-methylbenzoate
CID 7972044
[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate
CID 7751729
[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate
CID 7751731
[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 7949860
4-[2-[4-(1H-imidazol-2-yl)benzoyl]oxypropanoylamino]benzoic acid
CID 23943930
[1-(3-chloroanilino)-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate
CID 23831769
[1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate
CID 23802999
[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate
CID 23887966
[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(methoxymethyl)benzoate
CID 7488833
[1-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate
CID 23972060
[1-(naphthalen-1-ylamino)-1-oxobutan-2-yl] 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate
CID 23972252
(1-anilino-1-oxobutan-2-yl) 4-(1H-imidazol-2-yl)benzoate
CID 23916279

Frequently Asked Questions

What is the IUPAC name of [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate?
The IUPAC name of [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate (CID 23999726) is [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate.
What is the SMILES notation for [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate?
The canonical SMILES for [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate is CC(OC(=O)c1ccc(-c2ncc[nH]2)cc1)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate?
The InChIKey is HFVIGMLWDXEAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-15(22(27)26-20-8-4-6-16-5-2-3-7-19(16)20)29-23(28)18-11-9-17(10-12-18)21-24-13-14-25-21/h2-15H,1H3,(H,24,25)(H,26,27).
What are the key properties of [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate?
[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate has a molecular weight of 385.42 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate is sourced from PubChem (CID 23999726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).