N-[(3-aminophenyl)methyl]-N,3-dimethylimidazole-4-carboxamide

C13H16N4O — CID 103510269

IUPACN-[(3-aminophenyl)methyl]-N,3-dimethylimidazole-4-carboxamide
SMILESCN(Cc1cccc(N)c1)C(=O)c1cncn1C
InChIInChI=1S/C13H16N4O/c1-16(8-10-4-3-5-11(14)6-10)13(18)12-7-15-9-17(12)2/h3-7,9H,8,14H2,1-2H3
InChIKeyWIUPXXMWTNVQGH-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.27
Rot. Bonds3

About N-[(3-aminophenyl)methyl]-N,3-dimethylimidazole-4-carboxamide

N-[(3-aminophenyl)methyl]-N,3-dimethylimidazole-4-carboxamide (PubChem CID 103510269) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-N,3-dimethylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-N,3-dimethylimidazole-4-carboxamide
PubChem CID103510269
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-[(3-aminophenyl)methyl]-N,3-dimethylimidazole-4-carboxamide
SMILESCN(Cc1cccc(N)c1)C(=O)c1cncn1C
InChIInChI=1S/C13H16N4O/c1-16(8-10-4-3-5-11(14)6-10)13(18)12-7-15-9-17(12)2/h3-7,9H,8,14H2,1-2H3
InChIKeyWIUPXXMWTNVQGH-UHFFFAOYSA-N
XLogP1.27
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N,3-dimethylimidazole-4-carboxamide
CID 110851099
N-(3-aminophenyl)-3-methyl-N-propylimidazole-4-carboxamide
CID 103510337
N-[(3-aminophenyl)methyl]-N-methylacetamide
CID 28819680
N-[(3-aminophenyl)methyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 43383719
N-[(3-aminophenyl)methyl]-2-chloro-N-methylbenzamide
CID 43457723
N-[(3-aminophenyl)methyl]-N,3-dimethylbenzamide
CID 43457819
N-[(3-aminophenyl)methyl]-N-ethylpyrimidine-5-carboxamide
CID 102921247
N-[(3-aminophenyl)methyl]-3-hydroxy-N,2-dimethylbenzamide
CID 82826934
N-[(3-aminophenyl)methyl]-N-ethylpyridine-4-carboxamide
CID 43459023
N-[(3-aminophenyl)methyl]-2,5-dihydroxy-N-methylbenzamide
CID 107721381
N-[(3-aminophenyl)methyl]-3-chloro-2-fluoro-N-methylbenzamide
CID 81265785
N-[(3-aminophenyl)methyl]-2,3,4-trifluoro-N-methylbenzamide
CID 79757071

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-N,3-dimethylimidazole-4-carboxamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-N,3-dimethylimidazole-4-carboxamide (CID 103510269) is N-[(3-aminophenyl)methyl]-N,3-dimethylimidazole-4-carboxamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-N,3-dimethylimidazole-4-carboxamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-N,3-dimethylimidazole-4-carboxamide is CN(Cc1cccc(N)c1)C(=O)c1cncn1C.
What is the InChIKey of N-[(3-aminophenyl)methyl]-N,3-dimethylimidazole-4-carboxamide?
The InChIKey is WIUPXXMWTNVQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-16(8-10-4-3-5-11(14)6-10)13(18)12-7-15-9-17(12)2/h3-7,9H,8,14H2,1-2H3.
What are the key properties of N-[(3-aminophenyl)methyl]-N,3-dimethylimidazole-4-carboxamide?
N-[(3-aminophenyl)methyl]-N,3-dimethylimidazole-4-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-N,3-dimethylimidazole-4-carboxamide is sourced from PubChem (CID 103510269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).