[4-(4-chlorophenyl)-2-methylidene-3,4-dihydro-1H-pyrimidin-5-yl]-(4-imidazol-1-ylphenyl)methanone

C21H17ClN4O — CID 159930476

IUPAC[4-(4-chlorophenyl)-2-methylidene-3,4-dihydro-1H-pyrimidin-5-yl]-(4-imidazol-1-ylphenyl)methanone
SMILESC=C1NC=C(C(=O)c2ccc(-n3ccnc3)cc2)C(c2ccc(Cl)cc2)N1
InChIInChI=1S/C21H17ClN4O/c1-14-24-12-19(20(25-14)15-2-6-17(22)7-3-15)21(27)16-4-8-18(9-5-16)26-11-10-23-13-26/h2-13,20,24-25H,1H2
InChIKeyXBACIQGTOQWWIS-UHFFFAOYSA-N
MW376.85 g/mol
LogP4.00
Rot. Bonds4

About [4-(4-chlorophenyl)-2-methylidene-3,4-dihydro-1H-pyrimidin-5-yl]-(4-imidazol-1-ylphenyl)methanone

[4-(4-chlorophenyl)-2-methylidene-3,4-dihydro-1H-pyrimidin-5-yl]-(4-imidazol-1-ylphenyl)methanone (PubChem CID 159930476) has the molecular formula C21H17ClN4O and a molecular weight of 376.85 g/mol. Its IUPAC name is [4-(4-chlorophenyl)-2-methylidene-3,4-dihydro-1H-pyrimidin-5-yl]-(4-imidazol-1-ylphenyl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)-2-methylidene-3,4-dihydro-1H-pyrimidin-5-yl]-(4-imidazol-1-ylphenyl)methanone
PubChem CID159930476
Molecular FormulaC21H17ClN4O
Molecular Weight376.85 g/mol
Exact Mass376.11
IUPAC Name[4-(4-chlorophenyl)-2-methylidene-3,4-dihydro-1H-pyrimidin-5-yl]-(4-imidazol-1-ylphenyl)methanone
SMILESC=C1NC=C(C(=O)c2ccc(-n3ccnc3)cc2)C(c2ccc(Cl)cc2)N1
InChIInChI=1S/C21H17ClN4O/c1-14-24-12-19(20(25-14)15-2-6-17(22)7-3-15)21(27)16-4-8-18(9-5-16)26-11-10-23-13-26/h2-13,20,24-25H,1H2
InChIKeyXBACIQGTOQWWIS-UHFFFAOYSA-N
XLogP4.00
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.85
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-(4-chlorophenyl)-2-methylidene-3,4-dihydro-1H-pyrimidin-5-yl]-(4-imidazol-1-ylphenyl)methanone 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)-5-(4-imidazol-1-ylbenzoyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 140893687
5-(4-imidazol-1-ylbenzoyl)-4-(2-nitrophenyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 140893688
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
2-(4-imidazol-1-ylphenyl)prop-2-enoic acid
CID 69134424
[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
(4-imidazol-1-ylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 47159866
azetidin-1-yl-(4-imidazol-1-ylphenyl)methanone
CID 166196826
(2,3-dimethylpiperazin-1-yl)-(4-imidazol-1-ylphenyl)methanone;dihydrochloride
CID 120571831

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)-2-methylidene-3,4-dihydro-1H-pyrimidin-5-yl]-(4-imidazol-1-ylphenyl)methanone?
The IUPAC name of [4-(4-chlorophenyl)-2-methylidene-3,4-dihydro-1H-pyrimidin-5-yl]-(4-imidazol-1-ylphenyl)methanone (CID 159930476) is [4-(4-chlorophenyl)-2-methylidene-3,4-dihydro-1H-pyrimidin-5-yl]-(4-imidazol-1-ylphenyl)methanone.
What is the SMILES notation for [4-(4-chlorophenyl)-2-methylidene-3,4-dihydro-1H-pyrimidin-5-yl]-(4-imidazol-1-ylphenyl)methanone?
The canonical SMILES for [4-(4-chlorophenyl)-2-methylidene-3,4-dihydro-1H-pyrimidin-5-yl]-(4-imidazol-1-ylphenyl)methanone is C=C1NC=C(C(=O)c2ccc(-n3ccnc3)cc2)C(c2ccc(Cl)cc2)N1.
What is the InChIKey of [4-(4-chlorophenyl)-2-methylidene-3,4-dihydro-1H-pyrimidin-5-yl]-(4-imidazol-1-ylphenyl)methanone?
The InChIKey is XBACIQGTOQWWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O/c1-14-24-12-19(20(25-14)15-2-6-17(22)7-3-15)21(27)16-4-8-18(9-5-16)26-11-10-23-13-26/h2-13,20,24-25H,1H2.
What are the key properties of [4-(4-chlorophenyl)-2-methylidene-3,4-dihydro-1H-pyrimidin-5-yl]-(4-imidazol-1-ylphenyl)methanone?
[4-(4-chlorophenyl)-2-methylidene-3,4-dihydro-1H-pyrimidin-5-yl]-(4-imidazol-1-ylphenyl)methanone has a molecular weight of 376.85 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)-2-methylidene-3,4-dihydro-1H-pyrimidin-5-yl]-(4-imidazol-1-ylphenyl)methanone is sourced from PubChem (CID 159930476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).