(5S)-2,2,3-trimethyl-5-(naphthalen-2-ylmethyl)imidazolidin-4-one

C17H20N2O — CID 12021955

IUPAC(5S)-2,2,3-trimethyl-5-(naphthalen-2-ylmethyl)imidazolidin-4-one
SMILESCN1C(=O)[C@H](Cc2ccc3ccccc3c2)NC1(C)C
InChIInChI=1S/C17H20N2O/c1-17(2)18-15(16(20)19(17)3)11-12-8-9-13-6-4-5-7-14(13)10-12/h4-10,15,18H,11H2,1-3H3/t15-/m0/s1
InChIKeyQKPTVUWGZJEQDN-HNNXBMFYSA-N
MW268.36 g/mol
LogP2.55
Rot. Bonds2

About (5S)-2,2,3-trimethyl-5-(naphthalen-2-ylmethyl)imidazolidin-4-one

(5S)-2,2,3-trimethyl-5-(naphthalen-2-ylmethyl)imidazolidin-4-one (PubChem CID 12021955) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is (5S)-2,2,3-trimethyl-5-(naphthalen-2-ylmethyl)imidazolidin-4-one.

Molecular Properties

Compound Name(5S)-2,2,3-trimethyl-5-(naphthalen-2-ylmethyl)imidazolidin-4-one
PubChem CID12021955
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name(5S)-2,2,3-trimethyl-5-(naphthalen-2-ylmethyl)imidazolidin-4-one
SMILESCN1C(=O)[C@H](Cc2ccc3ccccc3c2)NC1(C)C
InChIInChI=1S/C17H20N2O/c1-17(2)18-15(16(20)19(17)3)11-12-8-9-13-6-4-5-7-14(13)10-12/h4-10,15,18H,11H2,1-3H3/t15-/m0/s1
InChIKeyQKPTVUWGZJEQDN-HNNXBMFYSA-N
XLogP2.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Methyl-5-(naphthalen-2-yl)imidazolidine-2,4-dione
CID 5000632
1-(2-(S)-Amino-3-biphenyl-4-YL-propionyl)-pyrrolidine-2-(S)-carbonitrile
CID 5459374
(S)-N-isobutyl-N-(pyrrolidin-3-yl)-2-naphthamide
CID 11220185
(R)-N-isobutyl-N-(pyrrolidin-3-yl)-2-naphthamide
CID 11323940
(2S)-N-[(2S)-6-amino-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]-1-(2-naphthalen-1-ylacetyl)pyrrolidine-2-carboxamide
CID 146257295
beta-phenyl-D-phenylalanyl-N-propyl-L-prolinamide
CID 25271577
tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-(naphthalen-2-yl)ethyl]carbamate
CID 11523212
cyclo(-D-Ala-D-Arg-L-Arg-L-Nal-Gly-)
CID 44418868
(R)-N-isopropyl-N-(pyrrolidin-3-yl)-2-naphthamide
CID 45487774
(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxo-3-(4-phenylphenyl)butan-2-aminium; 2,2,2-trifluoroacetate
CID 91895808
(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-[4-(2-methylphenyl)phenyl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895821
(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-[4-(4-methylphenyl)phenyl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895831

Frequently Asked Questions

What is the IUPAC name of (5S)-2,2,3-trimethyl-5-(naphthalen-2-ylmethyl)imidazolidin-4-one?
The IUPAC name of (5S)-2,2,3-trimethyl-5-(naphthalen-2-ylmethyl)imidazolidin-4-one (CID 12021955) is (5S)-2,2,3-trimethyl-5-(naphthalen-2-ylmethyl)imidazolidin-4-one.
What is the SMILES notation for (5S)-2,2,3-trimethyl-5-(naphthalen-2-ylmethyl)imidazolidin-4-one?
The canonical SMILES for (5S)-2,2,3-trimethyl-5-(naphthalen-2-ylmethyl)imidazolidin-4-one is CN1C(=O)[C@H](Cc2ccc3ccccc3c2)NC1(C)C.
What is the InChIKey of (5S)-2,2,3-trimethyl-5-(naphthalen-2-ylmethyl)imidazolidin-4-one?
The InChIKey is QKPTVUWGZJEQDN-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-17(2)18-15(16(20)19(17)3)11-12-8-9-13-6-4-5-7-14(13)10-12/h4-10,15,18H,11H2,1-3H3/t15-/m0/s1.
What are the key properties of (5S)-2,2,3-trimethyl-5-(naphthalen-2-ylmethyl)imidazolidin-4-one?
(5S)-2,2,3-trimethyl-5-(naphthalen-2-ylmethyl)imidazolidin-4-one has a molecular weight of 268.36 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2,2,3-trimethyl-5-(naphthalen-2-ylmethyl)imidazolidin-4-one is sourced from PubChem (CID 12021955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).