N-[(4R)-4-(dichloromethyl)-2-(4-methylphenyl)-5-oxo-1H-imidazol-4-yl]benzamide

C18H15Cl2N3O2 — CID 98209179

IUPACN-[(4R)-4-(dichloromethyl)-2-(4-methylphenyl)-5-oxo-1H-imidazol-4-yl]benzamide
SMILESCc1ccc(C2=N[C@@](NC(=O)c3ccccc3)(C(Cl)Cl)C(=O)N2)cc1
InChIInChI=1S/C18H15Cl2N3O2/c1-11-7-9-12(10-8-11)14-21-17(25)18(22-14,16(19)20)23-15(24)13-5-3-2-4-6-13/h2-10,16H,1H3,(H,23,24)(H,21,22,25)/t18-/m1/s1
InChIKeyPEWRANPDVUEPOW-GOSISDBHSA-N
MW376.24 g/mol
LogP2.80
Rot. Bonds4

About N-[(4R)-4-(dichloromethyl)-2-(4-methylphenyl)-5-oxo-1H-imidazol-4-yl]benzamide

N-[(4R)-4-(dichloromethyl)-2-(4-methylphenyl)-5-oxo-1H-imidazol-4-yl]benzamide (PubChem CID 98209179) has the molecular formula C18H15Cl2N3O2 and a molecular weight of 376.24 g/mol. Its IUPAC name is N-[(4R)-4-(dichloromethyl)-2-(4-methylphenyl)-5-oxo-1H-imidazol-4-yl]benzamide.

Molecular Properties

Compound NameN-[(4R)-4-(dichloromethyl)-2-(4-methylphenyl)-5-oxo-1H-imidazol-4-yl]benzamide
PubChem CID98209179
Molecular FormulaC18H15Cl2N3O2
Molecular Weight376.24 g/mol
Exact Mass375.05
IUPAC NameN-[(4R)-4-(dichloromethyl)-2-(4-methylphenyl)-5-oxo-1H-imidazol-4-yl]benzamide
SMILESCc1ccc(C2=N[C@@](NC(=O)c3ccccc3)(C(Cl)Cl)C(=O)N2)cc1
InChIInChI=1S/C18H15Cl2N3O2/c1-11-7-9-12(10-8-11)14-21-17(25)18(22-14,16(19)20)23-15(24)13-5-3-2-4-6-13/h2-10,16H,1H3,(H,23,24)(H,21,22,25)/t18-/m1/s1
InChIKeyPEWRANPDVUEPOW-GOSISDBHSA-N
XLogP2.80
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(4R)-4-(dichloromethyl)-5-oxo-2-phenyl-1H-imidazol-4-yl]-4-fluorobenzamide
CID 98310543
N-[(4S)-4-(dichloromethyl)-5-oxo-2-phenyl-1H-imidazol-4-yl]-4-fluorobenzamide
CID 98310542
N-[(4S)-4-(dichloromethyl)-2-methylsulfonyl-5-oxo-1H-imidazol-4-yl]benzamide
CID 98207075
N-[(4R)-2-amino-4-(dichloromethyl)-5-oxo-1H-imidazol-4-yl]benzamide
CID 98209137
N-[2-acetamido-4-(dichloromethyl)-5-oxo-1H-imidazol-4-yl]-4-methylbenzamide
CID 51065050
N-[(4R)-4-(dichloromethyl)-2-methylsulfanyl-5-oxo-1H-imidazol-4-yl]benzamide
CID 98168463
N-[(4R)-5-amino-4-(dichloromethyl)-2-methylsulfonylimidazol-4-yl]benzamide
CID 98209154
N-[(2R,3R)-3-methyl-2-(4-methylphenyl)-4-oxo-1-phenylazetidin-3-yl]benzamide
CID 101034287
methyl-[(1S)-2,2,2-trichloro-1-[(4-methylbenzoyl)amino]ethyl]azanium
CID 7452073
N-[(4S)-1-(4-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 2043412
N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 8798062
N-[(1S)-2,2-dichloro-1-phenylethyl]-4-methylbenzamide
CID 2303417

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-4-(dichloromethyl)-2-(4-methylphenyl)-5-oxo-1H-imidazol-4-yl]benzamide?
The IUPAC name of N-[(4R)-4-(dichloromethyl)-2-(4-methylphenyl)-5-oxo-1H-imidazol-4-yl]benzamide (CID 98209179) is N-[(4R)-4-(dichloromethyl)-2-(4-methylphenyl)-5-oxo-1H-imidazol-4-yl]benzamide.
What is the SMILES notation for N-[(4R)-4-(dichloromethyl)-2-(4-methylphenyl)-5-oxo-1H-imidazol-4-yl]benzamide?
The canonical SMILES for N-[(4R)-4-(dichloromethyl)-2-(4-methylphenyl)-5-oxo-1H-imidazol-4-yl]benzamide is Cc1ccc(C2=N[C@@](NC(=O)c3ccccc3)(C(Cl)Cl)C(=O)N2)cc1.
What is the InChIKey of N-[(4R)-4-(dichloromethyl)-2-(4-methylphenyl)-5-oxo-1H-imidazol-4-yl]benzamide?
The InChIKey is PEWRANPDVUEPOW-GOSISDBHSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2/c1-11-7-9-12(10-8-11)14-21-17(25)18(22-14,16(19)20)23-15(24)13-5-3-2-4-6-13/h2-10,16H,1H3,(H,23,24)(H,21,22,25)/t18-/m1/s1.
What are the key properties of N-[(4R)-4-(dichloromethyl)-2-(4-methylphenyl)-5-oxo-1H-imidazol-4-yl]benzamide?
N-[(4R)-4-(dichloromethyl)-2-(4-methylphenyl)-5-oxo-1H-imidazol-4-yl]benzamide has a molecular weight of 376.24 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-4-(dichloromethyl)-2-(4-methylphenyl)-5-oxo-1H-imidazol-4-yl]benzamide is sourced from PubChem (CID 98209179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).