(2S)-2-(4-imidazol-1-ylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one

C23H18N4O — CID 40671026

IUPAC(2S)-2-(4-imidazol-1-ylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@H](c2ccc(-n3ccnc3)cc2)N1c1ccccc1
InChIInChI=1S/C23H18N4O/c28-23-20-8-4-5-9-21(20)25-22(27(23)19-6-2-1-3-7-19)17-10-12-18(13-11-17)26-15-14-24-16-26/h1-16,22,25H/t22-/m0/s1
InChIKeyFFNPUQNSVBPQMP-QFIPXVFZSA-N
MW366.42 g/mol
LogP4.64
Rot. Bonds3

About (2S)-2-(4-imidazol-1-ylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one

(2S)-2-(4-imidazol-1-ylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one (PubChem CID 40671026) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is (2S)-2-(4-imidazol-1-ylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-2-(4-imidazol-1-ylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
PubChem CID40671026
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC Name(2S)-2-(4-imidazol-1-ylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@H](c2ccc(-n3ccnc3)cc2)N1c1ccccc1
InChIInChI=1S/C23H18N4O/c28-23-20-8-4-5-9-21(20)25-22(27(23)19-6-2-1-3-7-19)17-10-12-18(13-11-17)26-15-14-24-16-26/h1-16,22,25H/t22-/m0/s1
InChIKeyFFNPUQNSVBPQMP-QFIPXVFZSA-N
XLogP4.64
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-(1,3-benzodioxol-5-yl)-2-(4-imidazol-1-ylphenyl)-1,2-dihydroquinazolin-4-one
CID 40671038
(2S)-3-cyclopropyl-2-(4-imidazol-1-ylphenyl)-1,2-dihydroquinazolin-4-one
CID 51429597
(2S)-3-phenyl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one
CID 9006944
(2R)-3-(4-fluorophenyl)-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one
CID 9007353
(2S)-2,3-bis(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 805625
(2S)-2-(4-tert-butylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 7659372
3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 3112058
(2S)-3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 7331947
2-phenyl-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one
CID 176687508
(2S)-2-(4-fluorophenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 712104
N-[4-[(2S)-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl]phenyl]acetamide
CID 41064100
4-[3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid
CID 43000917

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-imidazol-1-ylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2S)-2-(4-imidazol-1-ylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one (CID 40671026) is (2S)-2-(4-imidazol-1-ylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-2-(4-imidazol-1-ylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-2-(4-imidazol-1-ylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2N[C@H](c2ccc(-n3ccnc3)cc2)N1c1ccccc1.
What is the InChIKey of (2S)-2-(4-imidazol-1-ylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one?
The InChIKey is FFNPUQNSVBPQMP-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H18N4O/c28-23-20-8-4-5-9-21(20)25-22(27(23)19-6-2-1-3-7-19)17-10-12-18(13-11-17)26-15-14-24-16-26/h1-16,22,25H/t22-/m0/s1.
What are the key properties of (2S)-2-(4-imidazol-1-ylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one?
(2S)-2-(4-imidazol-1-ylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one has a molecular weight of 366.42 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-imidazol-1-ylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 40671026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).