(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(2,5-dichlorophenyl)methyl]imidazol-4-yl]methanone

C22H20Cl2N4O — CID 155669600

IUPAC(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(2,5-dichlorophenyl)methyl]imidazol-4-yl]methanone
SMILESO=C(c1cncn1Cc1cc(Cl)ccc1Cl)N1CCN(C2CC2)c2ccccc21
InChIInChI=1S/C22H20Cl2N4O/c23-16-5-8-18(24)15(11-16)13-26-14-25-12-21(26)22(29)28-10-9-27(17-6-7-17)19-3-1-2-4-20(19)28/h1-5,8,11-12,14,17H,6-7,9-10,13H2
InChIKeyUCUFXJBDIPVFGI-UHFFFAOYSA-N
MW427.34 g/mol
LogP4.87
Rot. Bonds4

About (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(2,5-dichlorophenyl)methyl]imidazol-4-yl]methanone

(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(2,5-dichlorophenyl)methyl]imidazol-4-yl]methanone (PubChem CID 155669600) has the molecular formula C22H20Cl2N4O and a molecular weight of 427.34 g/mol. Its IUPAC name is (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(2,5-dichlorophenyl)methyl]imidazol-4-yl]methanone.

Molecular Properties

Compound Name(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(2,5-dichlorophenyl)methyl]imidazol-4-yl]methanone
PubChem CID155669600
Molecular FormulaC22H20Cl2N4O
Molecular Weight427.34 g/mol
Exact Mass426.10
IUPAC Name(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(2,5-dichlorophenyl)methyl]imidazol-4-yl]methanone
SMILESO=C(c1cncn1Cc1cc(Cl)ccc1Cl)N1CCN(C2CC2)c2ccccc21
InChIInChI=1S/C22H20Cl2N4O/c23-16-5-8-18(24)15(11-16)13-26-14-25-12-21(26)22(29)28-10-9-27(17-6-7-17)19-3-1-2-4-20(19)28/h1-5,8,11-12,14,17H,6-7,9-10,13H2
InChIKeyUCUFXJBDIPVFGI-UHFFFAOYSA-N
XLogP4.87
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.34
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(2,5-dichlorophenyl)methyl]imidazol-4-yl]methanone with MolForge

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Related Compounds

Pf-3463275
CID 44156901
(1-Benzyl-1h-Imidazol-4-Yl)[4-(2-Chlorophenyl)piperazin-1-Yl]methanone
CID 74983356
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone
CID 155669602
2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-cyclohexyl-1H-imidazole-4-carboxamide
CID 23398439
(4-Cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanone
CID 155669591
[3-[(2-Chlorophenyl)methyl]imidazol-4-yl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 155669593
(4-Cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(2,4-difluorophenyl)methyl]imidazol-4-yl]methanone
CID 155669594
(4-Cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(2,4-dichlorophenyl)methyl]imidazol-4-yl]methanone
CID 155669601
4-{5-[4-(3-Chloro-phenyl)-piperazine-1-carbonyl]-imidazol-1-ylmethyl}-benzonitrile
CID 44367161
4-{5-[4-(3-Chloro-phenyl)-3-oxo-piperazine-1-carbonyl]-imidazol-1-ylmethyl}-benzonitrile
CID 44367281
1-(4-chlorophenyl)-N-cyclohexyl-2-(2,5-dichlorophenyl)-1H-imidazole-4-carboxamide
CID 44425200
2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-cyclohexyl-N-methyl-1H-imidazole-4-carboxamide
CID 44425210

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(2,5-dichlorophenyl)methyl]imidazol-4-yl]methanone?
The IUPAC name of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(2,5-dichlorophenyl)methyl]imidazol-4-yl]methanone (CID 155669600) is (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(2,5-dichlorophenyl)methyl]imidazol-4-yl]methanone.
What is the SMILES notation for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(2,5-dichlorophenyl)methyl]imidazol-4-yl]methanone?
The canonical SMILES for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(2,5-dichlorophenyl)methyl]imidazol-4-yl]methanone is O=C(c1cncn1Cc1cc(Cl)ccc1Cl)N1CCN(C2CC2)c2ccccc21.
What is the InChIKey of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(2,5-dichlorophenyl)methyl]imidazol-4-yl]methanone?
The InChIKey is UCUFXJBDIPVFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N4O/c23-16-5-8-18(24)15(11-16)13-26-14-25-12-21(26)22(29)28-10-9-27(17-6-7-17)19-3-1-2-4-20(19)28/h1-5,8,11-12,14,17H,6-7,9-10,13H2.
What are the key properties of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(2,5-dichlorophenyl)methyl]imidazol-4-yl]methanone?
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(2,5-dichlorophenyl)methyl]imidazol-4-yl]methanone has a molecular weight of 427.34 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(2,5-dichlorophenyl)methyl]imidazol-4-yl]methanone is sourced from PubChem (CID 155669600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).