(4S)-2-amino-4-(4-methylphenyl)-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one

C15H15N3OS — CID 95655308

IUPAC(4S)-2-amino-4-(4-methylphenyl)-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one
SMILESCc1ccc([C@]2(Cc3cccs3)N=C(N)NC2=O)cc1
InChIInChI=1S/C15H15N3OS/c1-10-4-6-11(7-5-10)15(9-12-3-2-8-20-12)13(19)17-14(16)18-15/h2-8H,9H2,1H3,(H3,16,17,18,19)/t15-/m0/s1
InChIKeyWKWRHEIESLYKHN-HNNXBMFYSA-N
MW285.37 g/mol
LogP1.94
Rot. Bonds3

About (4S)-2-amino-4-(4-methylphenyl)-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one

(4S)-2-amino-4-(4-methylphenyl)-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one (PubChem CID 95655308) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is (4S)-2-amino-4-(4-methylphenyl)-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one.

Molecular Properties

Compound Name(4S)-2-amino-4-(4-methylphenyl)-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one
PubChem CID95655308
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name(4S)-2-amino-4-(4-methylphenyl)-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one
SMILESCc1ccc([C@]2(Cc3cccs3)N=C(N)NC2=O)cc1
InChIInChI=1S/C15H15N3OS/c1-10-4-6-11(7-5-10)15(9-12-3-2-8-20-12)13(19)17-14(16)18-15/h2-8H,9H2,1H3,(H3,16,17,18,19)/t15-/m0/s1
InChIKeyWKWRHEIESLYKHN-HNNXBMFYSA-N
XLogP1.94
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-2-amino-4-(4-chlorophenyl)-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one
CID 95655809
(4R)-2-amino-4-thiophen-2-yl-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one
CID 95656033
(4R)-2-amino-4-[(4-methylphenyl)methyl]-4-phenyl-1H-imidazol-5-one
CID 95655656
2-[2-(4-methylphenyl)ethyl]thiophene
CID 10488340
5-(4-methylphenyl)-3-(thiophen-2-ylmethyl)-3-(trifluoromethyl)furan-2-one
CID 11393589
1-[2-amino-5-(4-methylphenoxy)phenyl]-3-(thiophen-2-ylmethyl)urea
CID 143443839
2-(4-methylphenoxy)-3-thiophen-2-ylpropanamide
CID 135281307
2-[4-(4-methylphenyl)butyl]thiophene
CID 10585578
5-(4-methylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrimidine-4,6-diamine
CID 21101327
thiophen-2-ylmethyl (1S,3S,7S,8R)-4,9-bis(4-methylphenyl)-12-oxo-13-oxa-2-thia-4,5,9,10-tetrazatetracyclo[6.6.0.01,11.03,7]tetradeca-5,10-diene-6-carboxylate
CID 10554550
2-[(4-methylphenyl)methylsulfanylmethyl]thiophene
CID 5159898
3,4-dimethyl-4-(thiophen-2-ylmethyl)pyrrolidin-2-one
CID 164646289

Frequently Asked Questions

What is the IUPAC name of (4S)-2-amino-4-(4-methylphenyl)-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one?
The IUPAC name of (4S)-2-amino-4-(4-methylphenyl)-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one (CID 95655308) is (4S)-2-amino-4-(4-methylphenyl)-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one.
What is the SMILES notation for (4S)-2-amino-4-(4-methylphenyl)-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one?
The canonical SMILES for (4S)-2-amino-4-(4-methylphenyl)-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one is Cc1ccc([C@]2(Cc3cccs3)N=C(N)NC2=O)cc1.
What is the InChIKey of (4S)-2-amino-4-(4-methylphenyl)-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one?
The InChIKey is WKWRHEIESLYKHN-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-10-4-6-11(7-5-10)15(9-12-3-2-8-20-12)13(19)17-14(16)18-15/h2-8H,9H2,1H3,(H3,16,17,18,19)/t15-/m0/s1.
What are the key properties of (4S)-2-amino-4-(4-methylphenyl)-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one?
(4S)-2-amino-4-(4-methylphenyl)-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one has a molecular weight of 285.37 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-amino-4-(4-methylphenyl)-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one is sourced from PubChem (CID 95655308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).