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

C14H12ClN3OS — CID 95655809

IUPAC(4S)-2-amino-4-(4-chlorophenyl)-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one
SMILESNC1=N[C@@](Cc2cccs2)(c2ccc(Cl)cc2)C(=O)N1
InChIInChI=1S/C14H12ClN3OS/c15-10-5-3-9(4-6-10)14(8-11-2-1-7-20-11)12(19)17-13(16)18-14/h1-7H,8H2,(H3,16,17,18,19)/t14-/m0/s1
InChIKeyVRYJUISLIDEZFF-AWEZNQCLSA-N
MW305.79 g/mol
LogP2.28
Rot. Bonds3

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

(4S)-2-amino-4-(4-chlorophenyl)-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one (PubChem CID 95655809) has the molecular formula C14H12ClN3OS and a molecular weight of 305.79 g/mol. Its IUPAC name is (4S)-2-amino-4-(4-chlorophenyl)-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one.

Molecular Properties

Compound Name(4S)-2-amino-4-(4-chlorophenyl)-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one
PubChem CID95655809
Molecular FormulaC14H12ClN3OS
Molecular Weight305.79 g/mol
Exact Mass305.04
IUPAC Name(4S)-2-amino-4-(4-chlorophenyl)-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one
SMILESNC1=N[C@@](Cc2cccs2)(c2ccc(Cl)cc2)C(=O)N1
InChIInChI=1S/C14H12ClN3OS/c15-10-5-3-9(4-6-10)14(8-11-2-1-7-20-11)12(19)17-13(16)18-14/h1-7H,8H2,(H3,16,17,18,19)/t14-/m0/s1
InChIKeyVRYJUISLIDEZFF-AWEZNQCLSA-N
XLogP2.28
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-2-amino-4-(4-methylphenyl)-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one
CID 95655308
(4R)-2-amino-4-thiophen-2-yl-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one
CID 95656033
(4R)-2-amino-4-[(4-chlorophenyl)methyl]-4-phenyl-1H-imidazol-5-one
CID 95655641
4-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)-4-phenyl-1H-imidazol-5-one
CID 71698156
(3S)-5-chloro-3-(thiophen-2-ylmethyl)-1,3-dihydroindol-2-one
CID 26367680
2-[(4R)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 2703115
1-(4-chlorophenyl)-4-thiophen-2-ylbutan-2-amine
CID 63774417
2-(4-chlorophenyl)-4-thiophen-2-ylbutan-1-amine
CID 79441894
5-(4-chlorophenyl)-5-ethyl-3-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]imidazolidine-2,4-dione
CID 55410125
thiophen-2-ylmethyl (1S,3S,7S,8R)-4,9-bis(4-chlorophenyl)-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 10650964
2-[3-bromo-2-(4-chlorophenyl)propyl]thiophene
CID 79434107
4-chloro-6-(thiophen-2-ylmethyl)-1,3,5-triazin-2-amine
CID 83241447

Frequently Asked Questions

What is the IUPAC name of (4S)-2-amino-4-(4-chlorophenyl)-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one?
The IUPAC name of (4S)-2-amino-4-(4-chlorophenyl)-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one (CID 95655809) is (4S)-2-amino-4-(4-chlorophenyl)-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one.
What is the SMILES notation for (4S)-2-amino-4-(4-chlorophenyl)-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one?
The canonical SMILES for (4S)-2-amino-4-(4-chlorophenyl)-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one is NC1=N[C@@](Cc2cccs2)(c2ccc(Cl)cc2)C(=O)N1.
What is the InChIKey of (4S)-2-amino-4-(4-chlorophenyl)-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one?
The InChIKey is VRYJUISLIDEZFF-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H12ClN3OS/c15-10-5-3-9(4-6-10)14(8-11-2-1-7-20-11)12(19)17-13(16)18-14/h1-7H,8H2,(H3,16,17,18,19)/t14-/m0/s1.
What are the key properties of (4S)-2-amino-4-(4-chlorophenyl)-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one?
(4S)-2-amino-4-(4-chlorophenyl)-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one has a molecular weight of 305.79 g/mol, XLogP of 2.28, 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-chlorophenyl)-4-(thiophen-2-ylmethyl)-1H-imidazol-5-one is sourced from PubChem (CID 95655809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).