2-(2-methyl-1,3-thiazol-4-yl)-1-[(4-phenylphenyl)methyl]imidazolidin-4-one

C20H19N3OS — CID 47077950

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-1-[(4-phenylphenyl)methyl]imidazolidin-4-one
SMILESCc1nc(C2NC(=O)CN2Cc2ccc(-c3ccccc3)cc2)cs1
InChIInChI=1S/C20H19N3OS/c1-14-21-18(13-25-14)20-22-19(24)12-23(20)11-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,13,20H,11-12H2,1H3,(H,22,24)
InChIKeyNHFDCYSGYWDEON-UHFFFAOYSA-N
MW349.46 g/mol
LogP3.75
Rot. Bonds4

About 2-(2-methyl-1,3-thiazol-4-yl)-1-[(4-phenylphenyl)methyl]imidazolidin-4-one

2-(2-methyl-1,3-thiazol-4-yl)-1-[(4-phenylphenyl)methyl]imidazolidin-4-one (PubChem CID 47077950) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-1-[(4-phenylphenyl)methyl]imidazolidin-4-one.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-1-[(4-phenylphenyl)methyl]imidazolidin-4-one
PubChem CID47077950
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-1-[(4-phenylphenyl)methyl]imidazolidin-4-one
SMILESCc1nc(C2NC(=O)CN2Cc2ccc(-c3ccccc3)cc2)cs1
InChIInChI=1S/C20H19N3OS/c1-14-21-18(13-25-14)20-22-19(24)12-23(20)11-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,13,20H,11-12H2,1H3,(H,22,24)
InChIKeyNHFDCYSGYWDEON-UHFFFAOYSA-N
XLogP3.75
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2532745
2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 4175212
N-[[4-(2-thiophen-2-yl-1,3-thiazol-4-yl)phenyl]methyl]acetamide
CID 9344082
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboxamide
CID 118524336
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2540562
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2553925
(2S)-1-[(2R)-2-amino-3,3-diphenylpropanoyl]-N-[(2-amino-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 10623402
N-[(3-fluorophenyl)-[4-(2-methylphenyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 49778216
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-1-carboxamide
CID 127047312
N-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]pyrrolidine-1-carboxamide
CID 127047512
N-[2-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]ethyl]pyrrolidine-1-carboxamide
CID 127047513
N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]pyrrolidine-1-carboxamide
CID 127047514

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-[(4-phenylphenyl)methyl]imidazolidin-4-one?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-[(4-phenylphenyl)methyl]imidazolidin-4-one (CID 47077950) is 2-(2-methyl-1,3-thiazol-4-yl)-1-[(4-phenylphenyl)methyl]imidazolidin-4-one.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-1-[(4-phenylphenyl)methyl]imidazolidin-4-one?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-1-[(4-phenylphenyl)methyl]imidazolidin-4-one is Cc1nc(C2NC(=O)CN2Cc2ccc(-c3ccccc3)cc2)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-1-[(4-phenylphenyl)methyl]imidazolidin-4-one?
The InChIKey is NHFDCYSGYWDEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS/c1-14-21-18(13-25-14)20-22-19(24)12-23(20)11-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,13,20H,11-12H2,1H3,(H,22,24).
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-1-[(4-phenylphenyl)methyl]imidazolidin-4-one?
2-(2-methyl-1,3-thiazol-4-yl)-1-[(4-phenylphenyl)methyl]imidazolidin-4-one has a molecular weight of 349.46 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-1-[(4-phenylphenyl)methyl]imidazolidin-4-one is sourced from PubChem (CID 47077950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).