N-[2-acetamido-4-(dichloromethyl)-5-oxo-1H-imidazol-4-yl]-4-methylbenzamide

C14H14Cl2N4O3 — CID 51065050

IUPACN-[2-acetamido-4-(dichloromethyl)-5-oxo-1H-imidazol-4-yl]-4-methylbenzamide
SMILESCC(=O)NC1=NC(NC(=O)c2ccc(C)cc2)(C(Cl)Cl)C(=O)N1
InChIInChI=1S/C14H14Cl2N4O3/c1-7-3-5-9(6-4-7)10(22)19-14(11(15)16)12(23)18-13(20-14)17-8(2)21/h3-6,11H,1-2H3,(H,19,22)(H2,17,18,20,21,23)
InChIKeyPMJVKUHTGSQNAV-UHFFFAOYSA-N
MW357.20 g/mol
LogP0.85
Rot. Bonds3

About N-[2-acetamido-4-(dichloromethyl)-5-oxo-1H-imidazol-4-yl]-4-methylbenzamide

N-[2-acetamido-4-(dichloromethyl)-5-oxo-1H-imidazol-4-yl]-4-methylbenzamide (PubChem CID 51065050) has the molecular formula C14H14Cl2N4O3 and a molecular weight of 357.20 g/mol. Its IUPAC name is N-[2-acetamido-4-(dichloromethyl)-5-oxo-1H-imidazol-4-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-acetamido-4-(dichloromethyl)-5-oxo-1H-imidazol-4-yl]-4-methylbenzamide
PubChem CID51065050
Molecular FormulaC14H14Cl2N4O3
Molecular Weight357.20 g/mol
Exact Mass356.04
IUPAC NameN-[2-acetamido-4-(dichloromethyl)-5-oxo-1H-imidazol-4-yl]-4-methylbenzamide
SMILESCC(=O)NC1=NC(NC(=O)c2ccc(C)cc2)(C(Cl)Cl)C(=O)N1
InChIInChI=1S/C14H14Cl2N4O3/c1-7-3-5-9(6-4-7)10(22)19-14(11(15)16)12(23)18-13(20-14)17-8(2)21/h3-6,11H,1-2H3,(H,19,22)(H2,17,18,20,21,23)
InChIKeyPMJVKUHTGSQNAV-UHFFFAOYSA-N
XLogP0.85
TPSA99.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4R)-4-(dichloromethyl)-2-(4-methylphenyl)-5-oxo-1H-imidazol-4-yl]benzamide
CID 98209179
N-[(4S)-4-(dichloromethyl)-5-oxo-2-phenyl-1H-imidazol-4-yl]-4-fluorobenzamide
CID 98310542
N-(3-chlorobutan-2-yl)-4-methylbenzamide
CID 130948827
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
N-[2,2-dichloro-1-[(4-methylbenzoyl)amino]ethyl]-4-methylbenzamide
CID 1115971
methyl-[(1S)-2,2,2-trichloro-1-[(4-methylbenzoyl)amino]ethyl]azanium
CID 7452073
N-[5-(dichloromethyl)-6-oxoimidazo[2,1-b][1,3]thiazol-5-yl]-4-methylbenzamide
CID 45142534
N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573
(4-methylbenzoyl)carbamic acid
CID 89120559
propan-2-yl-[(1S)-2,2,2-trichloro-1-[(4-methylbenzoyl)amino]ethyl]azanium
CID 6947071
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-ethylbenzamide
CID 19338051
N-(4-chlorobenzoyl)-4-methylbenzamide
CID 122212331

Frequently Asked Questions

What is the IUPAC name of N-[2-acetamido-4-(dichloromethyl)-5-oxo-1H-imidazol-4-yl]-4-methylbenzamide?
The IUPAC name of N-[2-acetamido-4-(dichloromethyl)-5-oxo-1H-imidazol-4-yl]-4-methylbenzamide (CID 51065050) is N-[2-acetamido-4-(dichloromethyl)-5-oxo-1H-imidazol-4-yl]-4-methylbenzamide.
What is the SMILES notation for N-[2-acetamido-4-(dichloromethyl)-5-oxo-1H-imidazol-4-yl]-4-methylbenzamide?
The canonical SMILES for N-[2-acetamido-4-(dichloromethyl)-5-oxo-1H-imidazol-4-yl]-4-methylbenzamide is CC(=O)NC1=NC(NC(=O)c2ccc(C)cc2)(C(Cl)Cl)C(=O)N1.
What is the InChIKey of N-[2-acetamido-4-(dichloromethyl)-5-oxo-1H-imidazol-4-yl]-4-methylbenzamide?
The InChIKey is PMJVKUHTGSQNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4O3/c1-7-3-5-9(6-4-7)10(22)19-14(11(15)16)12(23)18-13(20-14)17-8(2)21/h3-6,11H,1-2H3,(H,19,22)(H2,17,18,20,21,23).
What are the key properties of N-[2-acetamido-4-(dichloromethyl)-5-oxo-1H-imidazol-4-yl]-4-methylbenzamide?
N-[2-acetamido-4-(dichloromethyl)-5-oxo-1H-imidazol-4-yl]-4-methylbenzamide has a molecular weight of 357.20 g/mol, XLogP of 0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-acetamido-4-(dichloromethyl)-5-oxo-1H-imidazol-4-yl]-4-methylbenzamide is sourced from PubChem (CID 51065050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).