4-(4-chlorophenyl)-5-(4-imidazol-1-ylbenzoyl)-3,4-dihydro-1H-pyrimidin-2-one

C20H15ClN4O2 — CID 140893687

IUPAC4-(4-chlorophenyl)-5-(4-imidazol-1-ylbenzoyl)-3,4-dihydro-1H-pyrimidin-2-one
SMILESO=C1NC=C(C(=O)c2ccc(-n3ccnc3)cc2)C(c2ccc(Cl)cc2)N1
InChIInChI=1S/C20H15ClN4O2/c21-15-5-1-13(2-6-15)18-17(11-23-20(27)24-18)19(26)14-3-7-16(8-4-14)25-10-9-22-12-25/h1-12,18H,(H2,23,24,27)
InChIKeyZAUKYOVDOJVBKU-UHFFFAOYSA-N
MW378.82 g/mol
LogP3.65
Rot. Bonds4

About 4-(4-chlorophenyl)-5-(4-imidazol-1-ylbenzoyl)-3,4-dihydro-1H-pyrimidin-2-one

4-(4-chlorophenyl)-5-(4-imidazol-1-ylbenzoyl)-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 140893687) has the molecular formula C20H15ClN4O2 and a molecular weight of 378.82 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-(4-imidazol-1-ylbenzoyl)-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-(4-imidazol-1-ylbenzoyl)-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID140893687
Molecular FormulaC20H15ClN4O2
Molecular Weight378.82 g/mol
Exact Mass378.09
IUPAC Name4-(4-chlorophenyl)-5-(4-imidazol-1-ylbenzoyl)-3,4-dihydro-1H-pyrimidin-2-one
SMILESO=C1NC=C(C(=O)c2ccc(-n3ccnc3)cc2)C(c2ccc(Cl)cc2)N1
InChIInChI=1S/C20H15ClN4O2/c21-15-5-1-13(2-6-15)18-17(11-23-20(27)24-18)19(26)14-3-7-16(8-4-14)25-10-9-22-12-25/h1-12,18H,(H2,23,24,27)
InChIKeyZAUKYOVDOJVBKU-UHFFFAOYSA-N
XLogP3.65
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(4-chlorophenyl)-5-(4-imidazol-1-ylbenzoyl)-3,4-dihydro-1H-pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(4-chlorophenyl)-2-methylidene-3,4-dihydro-1H-pyrimidin-5-yl]-(4-imidazol-1-ylphenyl)methanone
CID 159930476
5-(4-imidazol-1-ylbenzoyl)-4-(2-nitrophenyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 140893688
[4-(4-chlorophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-phenylmethanone
CID 101468221
1-(4-chlorophenyl)-3-(4-imidazol-1-ylphenyl)urea
CID 87013033
N-[2-(4-chlorophenyl)propan-2-yl]-4-imidazol-1-ylbenzamide
CID 110445434
(5-chloro-2-imidazol-1-ylphenyl)-(4-chlorophenyl)methanone
CID 21497391
5-(4-imidazol-1-ylphenyl)pyrrolidine-3-carboxylic acid
CID 117396339
[6-(4-imidazol-1-ylbenzoyl)cyclohex-3-en-1-yl]-(4-imidazol-1-ylphenyl)methanone
CID 11796495
4-imidazol-1-yl-N-piperidin-4-ylbenzamide
CID 14664369
azetidin-1-yl-(4-imidazol-1-ylphenyl)methanone
CID 166196826
2-(4-imidazol-1-ylphenyl)prop-2-enoic acid
CID 69134424
azepan-1-yl-(4-imidazol-1-ylphenyl)methanone
CID 110464231

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-(4-imidazol-1-ylbenzoyl)-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 4-(4-chlorophenyl)-5-(4-imidazol-1-ylbenzoyl)-3,4-dihydro-1H-pyrimidin-2-one (CID 140893687) is 4-(4-chlorophenyl)-5-(4-imidazol-1-ylbenzoyl)-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(4-chlorophenyl)-5-(4-imidazol-1-ylbenzoyl)-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 4-(4-chlorophenyl)-5-(4-imidazol-1-ylbenzoyl)-3,4-dihydro-1H-pyrimidin-2-one is O=C1NC=C(C(=O)c2ccc(-n3ccnc3)cc2)C(c2ccc(Cl)cc2)N1.
What is the InChIKey of 4-(4-chlorophenyl)-5-(4-imidazol-1-ylbenzoyl)-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is ZAUKYOVDOJVBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O2/c21-15-5-1-13(2-6-15)18-17(11-23-20(27)24-18)19(26)14-3-7-16(8-4-14)25-10-9-22-12-25/h1-12,18H,(H2,23,24,27).
What are the key properties of 4-(4-chlorophenyl)-5-(4-imidazol-1-ylbenzoyl)-3,4-dihydro-1H-pyrimidin-2-one?
4-(4-chlorophenyl)-5-(4-imidazol-1-ylbenzoyl)-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 378.82 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-(4-imidazol-1-ylbenzoyl)-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 140893687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).