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

C11H10Cl2N4O2 — CID 98209137

IUPACN-[(4R)-2-amino-4-(dichloromethyl)-5-oxo-1H-imidazol-4-yl]benzamide
SMILESNC1=N[C@@](NC(=O)c2ccccc2)(C(Cl)Cl)C(=O)N1
InChIInChI=1S/C11H10Cl2N4O2/c12-8(13)11(9(19)15-10(14)17-11)16-7(18)6-4-2-1-3-5-6/h1-5,8H,(H,16,18)(H3,14,15,17,19)/t11-/m0/s1
InChIKeyVCSKLPACBWNHNL-NSHDSACASA-N
MW301.13 g/mol
LogP0.36
Rot. Bonds3

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

N-[(4R)-2-amino-4-(dichloromethyl)-5-oxo-1H-imidazol-4-yl]benzamide (PubChem CID 98209137) has the molecular formula C11H10Cl2N4O2 and a molecular weight of 301.13 g/mol. Its IUPAC name is N-[(4R)-2-amino-4-(dichloromethyl)-5-oxo-1H-imidazol-4-yl]benzamide.

Molecular Properties

Compound NameN-[(4R)-2-amino-4-(dichloromethyl)-5-oxo-1H-imidazol-4-yl]benzamide
PubChem CID98209137
Molecular FormulaC11H10Cl2N4O2
Molecular Weight301.13 g/mol
Exact Mass300.02
IUPAC NameN-[(4R)-2-amino-4-(dichloromethyl)-5-oxo-1H-imidazol-4-yl]benzamide
SMILESNC1=N[C@@](NC(=O)c2ccccc2)(C(Cl)Cl)C(=O)N1
InChIInChI=1S/C11H10Cl2N4O2/c12-8(13)11(9(19)15-10(14)17-11)16-7(18)6-4-2-1-3-5-6/h1-5,8H,(H,16,18)(H3,14,15,17,19)/t11-/m0/s1
InChIKeyVCSKLPACBWNHNL-NSHDSACASA-N
XLogP0.36
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.13
LogP ≤ 50.36
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-methylsulfanyl-5-oxo-1H-imidazol-4-yl]benzamide
CID 98168463
N-[(4S)-4-(dichloromethyl)-2-methylsulfonyl-5-oxo-1H-imidazol-4-yl]benzamide
CID 98207075
N-[(4R)-4-(dichloromethyl)-2-(4-methylphenyl)-5-oxo-1H-imidazol-4-yl]benzamide
CID 98209179
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-[(4R)-5-amino-4-(dichloromethyl)-2-methylsulfonylimidazol-4-yl]benzamide
CID 98209154
N-hydroxybenzamide;nickel
CID 88846751
N-[(4S)-5-amino-4-(dichloromethyl)-2-phenylimidazol-4-yl]-2,2-dimethylpropanamide
CID 98198526
N-carbamoylbenzamide;urea
CID 157303801
N-[5-amino-4-(chloromethyl)-2-phenylimidazol-4-yl]benzamide
CID 45142662
N-(6-amino-4-sulfanylidene-1H-pyrimidin-5-yl)benzamide
CID 131852488
benzohydrazide;molybdenum
CID 162076561

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-2-amino-4-(dichloromethyl)-5-oxo-1H-imidazol-4-yl]benzamide?
The IUPAC name of N-[(4R)-2-amino-4-(dichloromethyl)-5-oxo-1H-imidazol-4-yl]benzamide (CID 98209137) is N-[(4R)-2-amino-4-(dichloromethyl)-5-oxo-1H-imidazol-4-yl]benzamide.
What is the SMILES notation for N-[(4R)-2-amino-4-(dichloromethyl)-5-oxo-1H-imidazol-4-yl]benzamide?
The canonical SMILES for N-[(4R)-2-amino-4-(dichloromethyl)-5-oxo-1H-imidazol-4-yl]benzamide is NC1=N[C@@](NC(=O)c2ccccc2)(C(Cl)Cl)C(=O)N1.
What is the InChIKey of N-[(4R)-2-amino-4-(dichloromethyl)-5-oxo-1H-imidazol-4-yl]benzamide?
The InChIKey is VCSKLPACBWNHNL-NSHDSACASA-N. The full InChI is InChI=1S/C11H10Cl2N4O2/c12-8(13)11(9(19)15-10(14)17-11)16-7(18)6-4-2-1-3-5-6/h1-5,8H,(H,16,18)(H3,14,15,17,19)/t11-/m0/s1.
What are the key properties of N-[(4R)-2-amino-4-(dichloromethyl)-5-oxo-1H-imidazol-4-yl]benzamide?
N-[(4R)-2-amino-4-(dichloromethyl)-5-oxo-1H-imidazol-4-yl]benzamide has a molecular weight of 301.13 g/mol, XLogP of 0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-2-amino-4-(dichloromethyl)-5-oxo-1H-imidazol-4-yl]benzamide is sourced from PubChem (CID 98209137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).