2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-[(4-methylphenyl)methyl]propanamide

C28H26N4O2S — CID 46349516

IUPAC2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)C(C)SC2=Nc3ccccc3C3=NC(Cc4ccccc4)C(=O)N23)cc1
InChIInChI=1S/C28H26N4O2S/c1-18-12-14-21(15-13-18)17-29-26(33)19(2)35-28-31-23-11-7-6-10-22(23)25-30-24(27(34)32(25)28)16-20-8-4-3-5-9-20/h3-15,19,24H,16-17H2,1-2H3,(H,29,33)
InChIKeyQEZNAAMBCTZCSQ-UHFFFAOYSA-N
MW482.61 g/mol
LogP4.63
Rot. Bonds6

About 2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-[(4-methylphenyl)methyl]propanamide

2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 46349516) has the molecular formula C28H26N4O2S and a molecular weight of 482.61 g/mol. Its IUPAC name is 2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-[(4-methylphenyl)methyl]propanamide
PubChem CID46349516
Molecular FormulaC28H26N4O2S
Molecular Weight482.61 g/mol
Exact Mass482.18
IUPAC Name2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)C(C)SC2=Nc3ccccc3C3=NC(Cc4ccccc4)C(=O)N23)cc1
InChIInChI=1S/C28H26N4O2S/c1-18-12-14-21(15-13-18)17-29-26(33)19(2)35-28-31-23-11-7-6-10-22(23)25-30-24(27(34)32(25)28)16-20-8-4-3-5-9-20/h3-15,19,24H,16-17H2,1-2H3,(H,29,33)
InChIKeyQEZNAAMBCTZCSQ-UHFFFAOYSA-N
XLogP4.63
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[(2R)-2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-[(4-methylphenyl)methyl]propanamide
CID 92725973
N-benzyl-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 20965636
(2S)-N-benzyl-2-[[(2R)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92725991
(2R)-N-benzyl-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92725992
(2S)-2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-methylphenyl)propanamide
CID 92751149
(2R)-N-[(4-fluorophenyl)methyl]-2-[[(2R)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92726001
(2R)-2-[[(2S)-2-[3-(benzylamino)-3-oxopropyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-[(4-methylphenyl)methyl]butanamide
CID 98354409
(2R)-2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(4-methoxyphenyl)propanamide
CID 92751144
2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(pyridin-3-ylmethyl)butanamide
CID 3441649
(2S)-2-[[(2S)-2-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-[(4-methylphenyl)methyl]butanamide
CID 98357720
(2S)-2-[[(2S)-2-[2-(cyclohexylamino)-2-oxoethyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-[(4-methylphenyl)methyl]butanamide
CID 98354878
(2S)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-phenylpropanamide
CID 92750956

Frequently Asked Questions

What is the IUPAC name of 2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of 2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-[(4-methylphenyl)methyl]propanamide (CID 46349516) is 2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for 2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-[(4-methylphenyl)methyl]propanamide is Cc1ccc(CNC(=O)C(C)SC2=Nc3ccccc3C3=NC(Cc4ccccc4)C(=O)N23)cc1.
What is the InChIKey of 2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is QEZNAAMBCTZCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O2S/c1-18-12-14-21(15-13-18)17-29-26(33)19(2)35-28-31-23-11-7-6-10-22(23)25-30-24(27(34)32(25)28)16-20-8-4-3-5-9-20/h3-15,19,24H,16-17H2,1-2H3,(H,29,33).
What are the key properties of 2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-[(4-methylphenyl)methyl]propanamide?
2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 482.61 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 46349516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).