N-(4-amino-2,6-dichlorophenyl)-2-imidazol-1-ylpropanamide

C12H12Cl2N4O — CID 16787449

IUPACN-(4-amino-2,6-dichlorophenyl)-2-imidazol-1-ylpropanamide
SMILESCC(C(=O)Nc1c(Cl)cc(N)cc1Cl)n1ccnc1
InChIInChI=1S/C12H12Cl2N4O/c1-7(18-3-2-16-6-18)12(19)17-11-9(13)4-8(15)5-10(11)14/h2-7H,15H2,1H3,(H,17,19)
InChIKeyOZFZGRPHJBQQNC-UHFFFAOYSA-N
MW299.16 g/mol
LogP2.97
Rot. Bonds3

About N-(4-amino-2,6-dichlorophenyl)-2-imidazol-1-ylpropanamide

N-(4-amino-2,6-dichlorophenyl)-2-imidazol-1-ylpropanamide (PubChem CID 16787449) has the molecular formula C12H12Cl2N4O and a molecular weight of 299.16 g/mol. Its IUPAC name is N-(4-amino-2,6-dichlorophenyl)-2-imidazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dichlorophenyl)-2-imidazol-1-ylpropanamide
PubChem CID16787449
Molecular FormulaC12H12Cl2N4O
Molecular Weight299.16 g/mol
Exact Mass298.04
IUPAC NameN-(4-amino-2,6-dichlorophenyl)-2-imidazol-1-ylpropanamide
SMILESCC(C(=O)Nc1c(Cl)cc(N)cc1Cl)n1ccnc1
InChIInChI=1S/C12H12Cl2N4O/c1-7(18-3-2-16-6-18)12(19)17-11-9(13)4-8(15)5-10(11)14/h2-7H,15H2,1H3,(H,17,19)
InChIKeyOZFZGRPHJBQQNC-UHFFFAOYSA-N
XLogP2.97
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2,6-dichlorophenyl)-2-pyrrolidin-1-ylpropanamide
CID 43080000
N-(4-amino-2,6-dichlorophenyl)-2-(4-chloropyrazol-1-yl)propanamide
CID 61036168
N-(4-amino-2,6-dichlorophenyl)-2-(4-methylpiperazin-1-yl)propanamide
CID 43079943
N-(4-amino-2,6-dichlorophenyl)-2-methoxypropanamide
CID 16782940
N-(4-amino-2,6-dichlorophenyl)-2-(4-bromopyrazol-1-yl)propanamide
CID 61036183
N-[5-chloro-2-(dimethylamino)phenyl]-2-imidazol-1-ylpropanamide
CID 56784832
(2,4,6-trichlorophenyl) 2-imidazol-1-ylpropanoate
CID 15284861
N-(2-hydroxypropan-2-yl)-2-imidazol-1-ylpropanamide
CID 174552130
N-(4-cyanophenyl)-2-imidazol-1-ylpropanamide
CID 43176830
(2S)-N-[3-chloro-4-(4-methoxyphenyl)sulfanylphenyl]-2-imidazol-1-ylpropanamide
CID 94777199
N-(3-cyanophenyl)-2-imidazol-1-ylpropanamide
CID 43176832
2-imidazol-1-yl-N-(methylcarbamoyl)propanamide
CID 60704182

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dichlorophenyl)-2-imidazol-1-ylpropanamide?
The IUPAC name of N-(4-amino-2,6-dichlorophenyl)-2-imidazol-1-ylpropanamide (CID 16787449) is N-(4-amino-2,6-dichlorophenyl)-2-imidazol-1-ylpropanamide.
What is the SMILES notation for N-(4-amino-2,6-dichlorophenyl)-2-imidazol-1-ylpropanamide?
The canonical SMILES for N-(4-amino-2,6-dichlorophenyl)-2-imidazol-1-ylpropanamide is CC(C(=O)Nc1c(Cl)cc(N)cc1Cl)n1ccnc1.
What is the InChIKey of N-(4-amino-2,6-dichlorophenyl)-2-imidazol-1-ylpropanamide?
The InChIKey is OZFZGRPHJBQQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4O/c1-7(18-3-2-16-6-18)12(19)17-11-9(13)4-8(15)5-10(11)14/h2-7H,15H2,1H3,(H,17,19).
What are the key properties of N-(4-amino-2,6-dichlorophenyl)-2-imidazol-1-ylpropanamide?
N-(4-amino-2,6-dichlorophenyl)-2-imidazol-1-ylpropanamide has a molecular weight of 299.16 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,6-dichlorophenyl)-2-imidazol-1-ylpropanamide is sourced from PubChem (CID 16787449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).