2-[4-oxo-2-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]quinazolin-3-yl]acetamide

C23H23N5O2S — CID 24606157

IUPAC2-[4-oxo-2-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]quinazolin-3-yl]acetamide
SMILESCC(C)c1ccccc1-n1ccnc1SCc1nc2ccccc2c(=O)n1CC(N)=O
InChIInChI=1S/C23H23N5O2S/c1-15(2)16-7-4-6-10-19(16)27-12-11-25-23(27)31-14-21-26-18-9-5-3-8-17(18)22(30)28(21)13-20(24)29/h3-12,15H,13-14H2,1-2H3,(H2,24,29)
InChIKeyUQKMQRXAPYJHEQ-UHFFFAOYSA-N
MW433.54 g/mol
LogP3.48
Rot. Bonds7

About 2-[4-oxo-2-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]quinazolin-3-yl]acetamide

2-[4-oxo-2-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]quinazolin-3-yl]acetamide (PubChem CID 24606157) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is 2-[4-oxo-2-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]quinazolin-3-yl]acetamide.

Molecular Properties

Compound Name2-[4-oxo-2-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]quinazolin-3-yl]acetamide
PubChem CID24606157
Molecular FormulaC23H23N5O2S
Molecular Weight433.54 g/mol
Exact Mass433.16
IUPAC Name2-[4-oxo-2-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]quinazolin-3-yl]acetamide
SMILESCC(C)c1ccccc1-n1ccnc1SCc1nc2ccccc2c(=O)n1CC(N)=O
InChIInChI=1S/C23H23N5O2S/c1-15(2)16-7-4-6-10-19(16)27-12-11-25-23(27)31-14-21-26-18-9-5-3-8-17(18)22(30)28(21)13-20(24)29/h3-12,15H,13-14H2,1-2H3,(H2,24,29)
InChIKeyUQKMQRXAPYJHEQ-UHFFFAOYSA-N
XLogP3.48
TPSA95.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-oxo-2-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]quinazolin-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-3-methylquinazolin-4-one
CID 37143292
(2R)-2-phenyl-2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide
CID 41434250
2-[2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxoquinazolin-3-yl]acetamide
CID 24604408
2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanol
CID 47024738
2-[2-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]-4-oxoquinazolin-3-yl]acetamide
CID 9132793
[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium
CID 8923695
2-[2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxoquinazolin-3-yl]acetamide
CID 24522907
2-ethyl-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 134010479
2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetonitrile
CID 134010477
1-(4-phenylpiperazin-1-yl)-2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanone
CID 43018705
2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-2-phenylacetamide
CID 46690378
2-ethoxy-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-thiadiazole
CID 60560207

Frequently Asked Questions

What is the IUPAC name of 2-[4-oxo-2-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]quinazolin-3-yl]acetamide?
The IUPAC name of 2-[4-oxo-2-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]quinazolin-3-yl]acetamide (CID 24606157) is 2-[4-oxo-2-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]quinazolin-3-yl]acetamide.
What is the SMILES notation for 2-[4-oxo-2-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]quinazolin-3-yl]acetamide?
The canonical SMILES for 2-[4-oxo-2-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]quinazolin-3-yl]acetamide is CC(C)c1ccccc1-n1ccnc1SCc1nc2ccccc2c(=O)n1CC(N)=O.
What is the InChIKey of 2-[4-oxo-2-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]quinazolin-3-yl]acetamide?
The InChIKey is UQKMQRXAPYJHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2S/c1-15(2)16-7-4-6-10-19(16)27-12-11-25-23(27)31-14-21-26-18-9-5-3-8-17(18)22(30)28(21)13-20(24)29/h3-12,15H,13-14H2,1-2H3,(H2,24,29).
What are the key properties of 2-[4-oxo-2-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]quinazolin-3-yl]acetamide?
2-[4-oxo-2-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]quinazolin-3-yl]acetamide has a molecular weight of 433.54 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-oxo-2-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]quinazolin-3-yl]acetamide is sourced from PubChem (CID 24606157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).