N-[(4S)-5-amino-4-(dichloromethyl)-2-phenylimidazol-4-yl]-2,2-dimethylpropanamide

C15H18Cl2N4O — CID 98198526

IUPACN-[(4S)-5-amino-4-(dichloromethyl)-2-phenylimidazol-4-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N[C@]1(C(Cl)Cl)N=C(c2ccccc2)N=C1N
InChIInChI=1S/C15H18Cl2N4O/c1-14(2,3)13(22)21-15(11(16)17)12(18)19-10(20-15)9-7-5-4-6-8-9/h4-8,11H,1-3H3,(H,21,22)(H2,18,19,20)/t15-/m0/s1
InChIKeyKOJJBHWESPTEBW-HNNXBMFYSA-N
MW341.24 g/mol
LogP2.47
Rot. Bonds3

About N-[(4S)-5-amino-4-(dichloromethyl)-2-phenylimidazol-4-yl]-2,2-dimethylpropanamide

N-[(4S)-5-amino-4-(dichloromethyl)-2-phenylimidazol-4-yl]-2,2-dimethylpropanamide (PubChem CID 98198526) has the molecular formula C15H18Cl2N4O and a molecular weight of 341.24 g/mol. Its IUPAC name is N-[(4S)-5-amino-4-(dichloromethyl)-2-phenylimidazol-4-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(4S)-5-amino-4-(dichloromethyl)-2-phenylimidazol-4-yl]-2,2-dimethylpropanamide
PubChem CID98198526
Molecular FormulaC15H18Cl2N4O
Molecular Weight341.24 g/mol
Exact Mass340.09
IUPAC NameN-[(4S)-5-amino-4-(dichloromethyl)-2-phenylimidazol-4-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N[C@]1(C(Cl)Cl)N=C(c2ccccc2)N=C1N
InChIInChI=1S/C15H18Cl2N4O/c1-14(2,3)13(22)21-15(11(16)17)12(18)19-10(20-15)9-7-5-4-6-8-9/h4-8,11H,1-3H3,(H,21,22)(H2,18,19,20)/t15-/m0/s1
InChIKeyKOJJBHWESPTEBW-HNNXBMFYSA-N
XLogP2.47
TPSA79.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.24
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-4-phenyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide
CID 82342240
N-[(R)-(4-chlorophenyl)-phenylmethyl]-2,2-dimethylpropanamide
CID 134948149
2,2-dimethyl-N-phenoxypropanamide
CID 20584483
2-[5-[iodo(phenyl)methyl]-4-methyl-2-phenylimidazol-4-yl]acetic acid
CID 70578693
N-[(4R)-4-(dichloromethyl)-2-methylsulfanyl-5-oxo-1H-imidazol-4-yl]benzamide
CID 98168463
N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2,2-dimethylpropanamide
CID 16764273
2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 4252554
N-(2,5-diphenyltriazol-4-yl)-2,2-dimethylpropanamide
CID 101126712
2-(2,2-dimethylpropanoylamino)-3-phenylbenzoic acid
CID 84820712
2-(2,2-dimethylpropanoylamino)-3-phenylpropanoyl chloride;propan-2-one
CID 174435245
2,2-dimethyl-N-[2-oxo-2-[(2-phenylpyrimidin-5-yl)amino]ethyl]propanamide
CID 134009428
2,2-dimethyl-N-[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 7449710

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-5-amino-4-(dichloromethyl)-2-phenylimidazol-4-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(4S)-5-amino-4-(dichloromethyl)-2-phenylimidazol-4-yl]-2,2-dimethylpropanamide (CID 98198526) is N-[(4S)-5-amino-4-(dichloromethyl)-2-phenylimidazol-4-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(4S)-5-amino-4-(dichloromethyl)-2-phenylimidazol-4-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(4S)-5-amino-4-(dichloromethyl)-2-phenylimidazol-4-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)N[C@]1(C(Cl)Cl)N=C(c2ccccc2)N=C1N.
What is the InChIKey of N-[(4S)-5-amino-4-(dichloromethyl)-2-phenylimidazol-4-yl]-2,2-dimethylpropanamide?
The InChIKey is KOJJBHWESPTEBW-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H18Cl2N4O/c1-14(2,3)13(22)21-15(11(16)17)12(18)19-10(20-15)9-7-5-4-6-8-9/h4-8,11H,1-3H3,(H,21,22)(H2,18,19,20)/t15-/m0/s1.
What are the key properties of N-[(4S)-5-amino-4-(dichloromethyl)-2-phenylimidazol-4-yl]-2,2-dimethylpropanamide?
N-[(4S)-5-amino-4-(dichloromethyl)-2-phenylimidazol-4-yl]-2,2-dimethylpropanamide has a molecular weight of 341.24 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-5-amino-4-(dichloromethyl)-2-phenylimidazol-4-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 98198526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).