N-benzyl-N,3-dimethylimidazole-4-carboxamide

C13H15N3O — CID 110851099

IUPACN-benzyl-N,3-dimethylimidazole-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cncn1C
InChIInChI=1S/C13H15N3O/c1-15(9-11-6-4-3-5-7-11)13(17)12-8-14-10-16(12)2/h3-8,10H,9H2,1-2H3
InChIKeyPTHBVUDEHJTNPY-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.69
Rot. Bonds3

About N-benzyl-N,3-dimethylimidazole-4-carboxamide

N-benzyl-N,3-dimethylimidazole-4-carboxamide (PubChem CID 110851099) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-benzyl-N,3-dimethylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N,3-dimethylimidazole-4-carboxamide
PubChem CID110851099
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-benzyl-N,3-dimethylimidazole-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cncn1C
InChIInChI=1S/C13H15N3O/c1-15(9-11-6-4-3-5-7-11)13(17)12-8-14-10-16(12)2/h3-8,10H,9H2,1-2H3
InChIKeyPTHBVUDEHJTNPY-UHFFFAOYSA-N
XLogP1.69
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-aminophenyl)methyl]-N,3-dimethylimidazole-4-carboxamide
CID 103510269
N-[(2-bromophenyl)methyl]-N,3-dimethylimidazole-4-carboxamide
CID 103511075
N-benzyl-N,2,5-trimethylpyrazole-3-carboxamide
CID 112513798
N-ethyl-3-methyl-N-phenylimidazole-4-carboxamide
CID 42789423
2-methyl-3-[methyl-(3-methylimidazole-4-carbonyl)amino]propanoic acid
CID 103510498
N-benzyl-N-methylpyridine-4-carboxamide
CID 7038821
N-[3-(2-chlorophenoxy)propyl]-N,3-dimethylimidazole-4-carboxamide
CID 131941696
N-benzyl-3-(furan-2-yl)-N,1-dimethylpyrazole-5-carboxamide
CID 42879277
N-benzyl-N,1-dimethylindazole-3-carboxamide
CID 110851100
3-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide
CID 42789426
N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-N-(2-phenylethyl)imidazole-4-carboxamide
CID 42789416
2-[methyl-(3-methylimidazole-4-carbonyl)amino]butanoic acid
CID 103510505

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,3-dimethylimidazole-4-carboxamide?
The IUPAC name of N-benzyl-N,3-dimethylimidazole-4-carboxamide (CID 110851099) is N-benzyl-N,3-dimethylimidazole-4-carboxamide.
What is the SMILES notation for N-benzyl-N,3-dimethylimidazole-4-carboxamide?
The canonical SMILES for N-benzyl-N,3-dimethylimidazole-4-carboxamide is CN(Cc1ccccc1)C(=O)c1cncn1C.
What is the InChIKey of N-benzyl-N,3-dimethylimidazole-4-carboxamide?
The InChIKey is PTHBVUDEHJTNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-15(9-11-6-4-3-5-7-11)13(17)12-8-14-10-16(12)2/h3-8,10H,9H2,1-2H3.
What are the key properties of N-benzyl-N,3-dimethylimidazole-4-carboxamide?
N-benzyl-N,3-dimethylimidazole-4-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,3-dimethylimidazole-4-carboxamide is sourced from PubChem (CID 110851099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).