3-iodo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide

C13H14IN3O — CID 47116905

IUPAC3-iodo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
SMILESCN(Cc1nccn1C)C(=O)c1cccc(I)c1
InChIInChI=1S/C13H14IN3O/c1-16-7-6-15-12(16)9-17(2)13(18)10-4-3-5-11(14)8-10/h3-8H,9H2,1-2H3
InChIKeyGMSQHLZQXUQBKE-UHFFFAOYSA-N
MW355.18 g/mol
LogP2.30
Rot. Bonds3

About 3-iodo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide

3-iodo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide (PubChem CID 47116905) has the molecular formula C13H14IN3O and a molecular weight of 355.18 g/mol. Its IUPAC name is 3-iodo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-iodo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
PubChem CID47116905
Molecular FormulaC13H14IN3O
Molecular Weight355.18 g/mol
Exact Mass355.02
IUPAC Name3-iodo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
SMILESCN(Cc1nccn1C)C(=O)c1cccc(I)c1
InChIInChI=1S/C13H14IN3O/c1-16-7-6-15-12(16)9-17(2)13(18)10-4-3-5-11(14)8-10/h3-8H,9H2,1-2H3
InChIKeyGMSQHLZQXUQBKE-UHFFFAOYSA-N
XLogP2.30
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-(dimethylamino)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 61115484
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1H-indole-5-carboxamide
CID 63718786
4-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-nitrobenzamide
CID 60666102
2,3-difluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 62662294
3-[[[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]amino]methyl]benzoic acid
CID 136558257
5-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]thiophene-2-carboxylic acid
CID 60721954
3-bromo-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 103979664
N-[(2-hydroxyphenyl)methyl]-3-iodo-N-methylbenzamide
CID 47290646
3-iodo-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 60631085
N-[(3,4-dichlorophenyl)methyl]-3-iodo-N-methylbenzamide
CID 60628796
2-hydroxy-N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 60717766
4-(1,3-dithiolan-2-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 86908152

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The IUPAC name of 3-iodo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide (CID 47116905) is 3-iodo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 3-iodo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 3-iodo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide is CN(Cc1nccn1C)C(=O)c1cccc(I)c1.
What is the InChIKey of 3-iodo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The InChIKey is GMSQHLZQXUQBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14IN3O/c1-16-7-6-15-12(16)9-17(2)13(18)10-4-3-5-11(14)8-10/h3-8H,9H2,1-2H3.
What are the key properties of 3-iodo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide?
3-iodo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide has a molecular weight of 355.18 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 47116905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).