(7S)-7-[2-(4-phenylphenyl)acetyl]-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one

C20H17N3O2 — CID 118715874

IUPAC(7S)-7-[2-(4-phenylphenyl)acetyl]-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)[C@@H]1Cc2cncn2C(=O)N1
InChIInChI=1S/C20H17N3O2/c24-19(18-11-17-12-21-13-23(17)20(25)22-18)10-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,12-13,18H,10-11H2,(H,22,25)/t18-/m0/s1
InChIKeyYVUPHUSLEFTSKX-SFHVURJKSA-N
MW331.38 g/mol
LogP2.84
Rot. Bonds4

About (7S)-7-[2-(4-phenylphenyl)acetyl]-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one

(7S)-7-[2-(4-phenylphenyl)acetyl]-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one (PubChem CID 118715874) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is (7S)-7-[2-(4-phenylphenyl)acetyl]-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one.

Molecular Properties

Compound Name(7S)-7-[2-(4-phenylphenyl)acetyl]-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one
PubChem CID118715874
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name(7S)-7-[2-(4-phenylphenyl)acetyl]-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)[C@@H]1Cc2cncn2C(=O)N1
InChIInChI=1S/C20H17N3O2/c24-19(18-11-17-12-21-13-23(17)20(25)22-18)10-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,12-13,18H,10-11H2,(H,22,25)/t18-/m0/s1
InChIKeyYVUPHUSLEFTSKX-SFHVURJKSA-N
XLogP2.84
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-[2-(4-phenylphenyl)acetyl]-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one?
The IUPAC name of (7S)-7-[2-(4-phenylphenyl)acetyl]-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one (CID 118715874) is (7S)-7-[2-(4-phenylphenyl)acetyl]-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one.
What is the SMILES notation for (7S)-7-[2-(4-phenylphenyl)acetyl]-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one?
The canonical SMILES for (7S)-7-[2-(4-phenylphenyl)acetyl]-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one is O=C(Cc1ccc(-c2ccccc2)cc1)[C@@H]1Cc2cncn2C(=O)N1.
What is the InChIKey of (7S)-7-[2-(4-phenylphenyl)acetyl]-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one?
The InChIKey is YVUPHUSLEFTSKX-SFHVURJKSA-N. The full InChI is InChI=1S/C20H17N3O2/c24-19(18-11-17-12-21-13-23(17)20(25)22-18)10-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,12-13,18H,10-11H2,(H,22,25)/t18-/m0/s1.
What are the key properties of (7S)-7-[2-(4-phenylphenyl)acetyl]-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one?
(7S)-7-[2-(4-phenylphenyl)acetyl]-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one has a molecular weight of 331.38 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-[2-(4-phenylphenyl)acetyl]-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one is sourced from PubChem (CID 118715874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).