6-[(2-chlorophenyl)methyl]-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-5,7-dione

C19H16ClN3O2 — CID 101455921

IUPAC6-[(2-chlorophenyl)methyl]-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-5,7-dione
SMILESO=C1N=C2N(CCN2c2ccccc2)C(=O)C1Cc1ccccc1Cl
InChIInChI=1S/C19H16ClN3O2/c20-16-9-5-4-6-13(16)12-15-17(24)21-19-22(10-11-23(19)18(15)25)14-7-2-1-3-8-14/h1-9,15H,10-12H2
InChIKeyXOLPRPYWCWTUCR-UHFFFAOYSA-N
MW353.81 g/mol
LogP2.74
Rot. Bonds3

About 6-[(2-chlorophenyl)methyl]-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-5,7-dione

6-[(2-chlorophenyl)methyl]-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-5,7-dione (PubChem CID 101455921) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 6-[(2-chlorophenyl)methyl]-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-5,7-dione.

Molecular Properties

Compound Name6-[(2-chlorophenyl)methyl]-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-5,7-dione
PubChem CID101455921
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name6-[(2-chlorophenyl)methyl]-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-5,7-dione
SMILESO=C1N=C2N(CCN2c2ccccc2)C(=O)C1Cc1ccccc1Cl
InChIInChI=1S/C19H16ClN3O2/c20-16-9-5-4-6-13(16)12-15-17(24)21-19-22(10-11-23(19)18(15)25)14-7-2-1-3-8-14/h1-9,15H,10-12H2
InChIKeyXOLPRPYWCWTUCR-UHFFFAOYSA-N
XLogP2.74
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

6-[(2-chlorophenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione
CID 13131700
2-[3-[(2-chlorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]acetic acid
CID 110458252
5-[(2-chlorophenyl)methyl]-1,3-diazinane-2,4,6-trione
CID 67491988
(2-chlorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate
CID 19615215
2-chloro-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide
CID 95255094
1-chloro-2-(cyclohexylmethyl)benzene
CID 54348768
2-[(2-chlorophenyl)methyl]cyclohexane-1-carboxylic acid
CID 81008869
9-[(2-chlorophenyl)methyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155986013
1-[(2-bromophenyl)methyl]-4-phenylpiperazine-2,3-dione
CID 10808383
2-[(2-chlorophenyl)methyl]-1-methylpyrrolidine
CID 23452576
4-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butanoic acid
CID 124564415
4-[(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butanoic acid
CID 124564416

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chlorophenyl)methyl]-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-5,7-dione?
The IUPAC name of 6-[(2-chlorophenyl)methyl]-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-5,7-dione (CID 101455921) is 6-[(2-chlorophenyl)methyl]-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-5,7-dione.
What is the SMILES notation for 6-[(2-chlorophenyl)methyl]-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-5,7-dione?
The canonical SMILES for 6-[(2-chlorophenyl)methyl]-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-5,7-dione is O=C1N=C2N(CCN2c2ccccc2)C(=O)C1Cc1ccccc1Cl.
What is the InChIKey of 6-[(2-chlorophenyl)methyl]-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-5,7-dione?
The InChIKey is XOLPRPYWCWTUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c20-16-9-5-4-6-13(16)12-15-17(24)21-19-22(10-11-23(19)18(15)25)14-7-2-1-3-8-14/h1-9,15H,10-12H2.
What are the key properties of 6-[(2-chlorophenyl)methyl]-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-5,7-dione?
6-[(2-chlorophenyl)methyl]-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-5,7-dione has a molecular weight of 353.81 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chlorophenyl)methyl]-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-5,7-dione is sourced from PubChem (CID 101455921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).