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

C22H21ClN4O — CID 155669593

IUPAC[3-[(2-chlorophenyl)methyl]imidazol-4-yl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone
SMILESO=C(c1cncn1Cc1ccccc1Cl)N1CCN(C2CC2)c2ccccc21
InChIInChI=1S/C22H21ClN4O/c23-18-6-2-1-5-16(18)14-25-15-24-13-21(25)22(28)27-12-11-26(17-9-10-17)19-7-3-4-8-20(19)27/h1-8,13,15,17H,9-12,14H2
InChIKeyOBUMDWCXRJHJOD-UHFFFAOYSA-N
MW392.89 g/mol
LogP4.21
Rot. Bonds4

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

[3-[(2-chlorophenyl)methyl]imidazol-4-yl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone (PubChem CID 155669593) has the molecular formula C22H21ClN4O and a molecular weight of 392.89 g/mol. Its IUPAC name is [3-[(2-chlorophenyl)methyl]imidazol-4-yl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone.

Molecular Properties

Compound Name[3-[(2-chlorophenyl)methyl]imidazol-4-yl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone
PubChem CID155669593
Molecular FormulaC22H21ClN4O
Molecular Weight392.89 g/mol
Exact Mass392.14
IUPAC Name[3-[(2-chlorophenyl)methyl]imidazol-4-yl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone
SMILESO=C(c1cncn1Cc1ccccc1Cl)N1CCN(C2CC2)c2ccccc21
InChIInChI=1S/C22H21ClN4O/c23-18-6-2-1-5-16(18)14-25-15-24-13-21(25)22(28)27-12-11-26(17-9-10-17)19-7-3-4-8-20(19)27/h1-8,13,15,17H,9-12,14H2
InChIKeyOBUMDWCXRJHJOD-UHFFFAOYSA-N
XLogP4.21
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(2-chlorophenyl)methyl]imidazol-4-yl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone?
The IUPAC name of [3-[(2-chlorophenyl)methyl]imidazol-4-yl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone (CID 155669593) is [3-[(2-chlorophenyl)methyl]imidazol-4-yl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone.
What is the SMILES notation for [3-[(2-chlorophenyl)methyl]imidazol-4-yl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone?
The canonical SMILES for [3-[(2-chlorophenyl)methyl]imidazol-4-yl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone is O=C(c1cncn1Cc1ccccc1Cl)N1CCN(C2CC2)c2ccccc21.
What is the InChIKey of [3-[(2-chlorophenyl)methyl]imidazol-4-yl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone?
The InChIKey is OBUMDWCXRJHJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O/c23-18-6-2-1-5-16(18)14-25-15-24-13-21(25)22(28)27-12-11-26(17-9-10-17)19-7-3-4-8-20(19)27/h1-8,13,15,17H,9-12,14H2.
What are the key properties of [3-[(2-chlorophenyl)methyl]imidazol-4-yl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone?
[3-[(2-chlorophenyl)methyl]imidazol-4-yl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone has a molecular weight of 392.89 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-chlorophenyl)methyl]imidazol-4-yl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone is sourced from PubChem (CID 155669593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).