2-[(3-benzyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-phenylpropanamide

C26H22N4O2S — CID 163336504

IUPAC2-[(3-benzyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-phenylpropanamide
SMILESCC(SC1=Nc2ccccc2C2=NC(=O)C(Cc3ccccc3)N12)C(=O)Nc1ccccc1
InChIInChI=1S/C26H22N4O2S/c1-17(24(31)27-19-12-6-3-7-13-19)33-26-28-21-15-9-8-14-20(21)23-29-25(32)22(30(23)26)16-18-10-4-2-5-11-18/h2-15,17,22H,16H2,1H3,(H,27,31)
InChIKeyMAUDZTAGIKHKHN-UHFFFAOYSA-N
MW454.56 g/mol
LogP4.65
Rot. Bonds5

About 2-[(3-benzyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-phenylpropanamide

2-[(3-benzyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-phenylpropanamide (PubChem CID 163336504) has the molecular formula C26H22N4O2S and a molecular weight of 454.56 g/mol. Its IUPAC name is 2-[(3-benzyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-phenylpropanamide.

Molecular Properties

Compound Name2-[(3-benzyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-phenylpropanamide
PubChem CID163336504
Molecular FormulaC26H22N4O2S
Molecular Weight454.56 g/mol
Exact Mass454.15
IUPAC Name2-[(3-benzyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-phenylpropanamide
SMILESCC(SC1=Nc2ccccc2C2=NC(=O)C(Cc3ccccc3)N12)C(=O)Nc1ccccc1
InChIInChI=1S/C26H22N4O2S/c1-17(24(31)27-19-12-6-3-7-13-19)33-26-28-21-15-9-8-14-20(21)23-29-25(32)22(30(23)26)16-18-10-4-2-5-11-18/h2-15,17,22H,16H2,1H3,(H,27,31)
InChIKeyMAUDZTAGIKHKHN-UHFFFAOYSA-N
XLogP4.65
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.56
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-benzyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 163337555
(2R)-2-[[(2S)-2-[(2S)-butan-2-yl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-phenylpropanamide
CID 98749404
(2R)-2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(4-methoxyphenyl)propanamide
CID 92751144
(2S)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-phenylpropanamide
CID 92750956
(2S)-2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-methylphenyl)propanamide
CID 92751149
2-[(3-benzyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(2,4-difluorophenyl)acetamide
CID 163337649
N-(4-methoxyphenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]butanamide
CID 163336042
2-[[3-[2-(benzylamino)-2-oxoethyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(3-methoxyphenyl)butanamide
CID 156611084
(2R)-N-(4-chlorophenyl)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92751222
(2S)-N-(4-fluorophenyl)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92751231
(2R)-N-(4-fluorophenyl)-2-[[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92751116
N-(2-methylphenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]butanamide
CID 163337658

Frequently Asked Questions

What is the IUPAC name of 2-[(3-benzyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-phenylpropanamide?
The IUPAC name of 2-[(3-benzyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-phenylpropanamide (CID 163336504) is 2-[(3-benzyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-phenylpropanamide.
What is the SMILES notation for 2-[(3-benzyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-phenylpropanamide?
The canonical SMILES for 2-[(3-benzyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-phenylpropanamide is CC(SC1=Nc2ccccc2C2=NC(=O)C(Cc3ccccc3)N12)C(=O)Nc1ccccc1.
What is the InChIKey of 2-[(3-benzyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-phenylpropanamide?
The InChIKey is MAUDZTAGIKHKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2S/c1-17(24(31)27-19-12-6-3-7-13-19)33-26-28-21-15-9-8-14-20(21)23-29-25(32)22(30(23)26)16-18-10-4-2-5-11-18/h2-15,17,22H,16H2,1H3,(H,27,31).
What are the key properties of 2-[(3-benzyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-phenylpropanamide?
2-[(3-benzyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-phenylpropanamide has a molecular weight of 454.56 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-benzyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-phenylpropanamide is sourced from PubChem (CID 163336504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).