5-amino-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide

C13H15ClN4O — CID 61116431

IUPAC5-amino-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
SMILESCN(Cc1nccn1C)C(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C13H15ClN4O/c1-17-6-5-16-12(17)8-18(2)13(19)10-7-9(15)3-4-11(10)14/h3-7H,8,15H2,1-2H3
InChIKeyPQWGDQVKXHJFAC-UHFFFAOYSA-N
MW278.74 g/mol
LogP1.93
Rot. Bonds3

About 5-amino-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide

5-amino-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide (PubChem CID 61116431) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 5-amino-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
PubChem CID61116431
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name5-amino-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
SMILESCN(Cc1nccn1C)C(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C13H15ClN4O/c1-17-6-5-16-12(17)8-18(2)13(19)10-7-9(15)3-4-11(10)14/h3-7H,8,15H2,1-2H3
InChIKeyPQWGDQVKXHJFAC-UHFFFAOYSA-N
XLogP1.93
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-3-carboxamide
CID 63116844
3-bromo-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 103979664
4-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-nitrobenzamide
CID 60666102
2-hydroxy-N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 60717766
N-(4-amino-2-chlorophenyl)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide
CID 63015664
2-fluoro-N,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 62514005
3-(3,4-dichlorophenyl)-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea
CID 71902046
4-bromo-2-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 47120153
3-amino-4-(dimethylamino)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 61115484
5-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2-dimethylbenzamide
CID 120643126
2,3-difluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 62662294
2-hydroxy-5-methoxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 60717793

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The IUPAC name of 5-amino-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide (CID 61116431) is 5-amino-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 5-amino-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 5-amino-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide is CN(Cc1nccn1C)C(=O)c1cc(N)ccc1Cl.
What is the InChIKey of 5-amino-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The InChIKey is PQWGDQVKXHJFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-17-6-5-16-12(17)8-18(2)13(19)10-7-9(15)3-4-11(10)14/h3-7H,8,15H2,1-2H3.
What are the key properties of 5-amino-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide?
5-amino-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide has a molecular weight of 278.74 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 61116431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).