2-ethoxy-N-(5-iodo-4-methyl-2-propylimidazol-1-yl)benzamide

C16H20IN3O2 — CID 11269925

IUPAC2-ethoxy-N-(5-iodo-4-methyl-2-propylimidazol-1-yl)benzamide
SMILESCCCc1nc(C)c(I)n1NC(=O)c1ccccc1OCC
InChIInChI=1S/C16H20IN3O2/c1-4-8-14-18-11(3)15(17)20(14)19-16(21)12-9-6-7-10-13(12)22-5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H,19,21)
InChIKeyDDJHNYGLPKNPKF-UHFFFAOYSA-N
MW413.26 g/mol
LogP3.53
Rot. Bonds6

About 2-ethoxy-N-(5-iodo-4-methyl-2-propylimidazol-1-yl)benzamide

2-ethoxy-N-(5-iodo-4-methyl-2-propylimidazol-1-yl)benzamide (PubChem CID 11269925) has the molecular formula C16H20IN3O2 and a molecular weight of 413.26 g/mol. Its IUPAC name is 2-ethoxy-N-(5-iodo-4-methyl-2-propylimidazol-1-yl)benzamide.

Molecular Properties

Compound Name2-ethoxy-N-(5-iodo-4-methyl-2-propylimidazol-1-yl)benzamide
PubChem CID11269925
Molecular FormulaC16H20IN3O2
Molecular Weight413.26 g/mol
Exact Mass413.06
IUPAC Name2-ethoxy-N-(5-iodo-4-methyl-2-propylimidazol-1-yl)benzamide
SMILESCCCc1nc(C)c(I)n1NC(=O)c1ccccc1OCC
InChIInChI=1S/C16H20IN3O2/c1-4-8-14-18-11(3)15(17)20(14)19-16(21)12-9-6-7-10-13(12)22-5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H,19,21)
InChIKeyDDJHNYGLPKNPKF-UHFFFAOYSA-N
XLogP3.53
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.26
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 19393618
ethane;2-ethoxy-N-methylbenzamide
CID 142472808
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-ethoxybenzamide
CID 19294449
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
2-ethoxy-N-[4-[4-[(2-ethoxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 4556792
2-ethoxy-N-(4-hydroxy-2-methylphenyl)benzamide
CID 1234633
N-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2-ethoxybenzamide
CID 650215
2-ethoxy-N-[(2R)-pentan-2-yl]benzamide
CID 1234495
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
N-(2,5-diethoxyphenyl)-2-ethoxybenzamide
CID 43000684
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-ethoxybenzamide
CID 19288564

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(5-iodo-4-methyl-2-propylimidazol-1-yl)benzamide?
The IUPAC name of 2-ethoxy-N-(5-iodo-4-methyl-2-propylimidazol-1-yl)benzamide (CID 11269925) is 2-ethoxy-N-(5-iodo-4-methyl-2-propylimidazol-1-yl)benzamide.
What is the SMILES notation for 2-ethoxy-N-(5-iodo-4-methyl-2-propylimidazol-1-yl)benzamide?
The canonical SMILES for 2-ethoxy-N-(5-iodo-4-methyl-2-propylimidazol-1-yl)benzamide is CCCc1nc(C)c(I)n1NC(=O)c1ccccc1OCC.
What is the InChIKey of 2-ethoxy-N-(5-iodo-4-methyl-2-propylimidazol-1-yl)benzamide?
The InChIKey is DDJHNYGLPKNPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20IN3O2/c1-4-8-14-18-11(3)15(17)20(14)19-16(21)12-9-6-7-10-13(12)22-5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H,19,21).
What are the key properties of 2-ethoxy-N-(5-iodo-4-methyl-2-propylimidazol-1-yl)benzamide?
2-ethoxy-N-(5-iodo-4-methyl-2-propylimidazol-1-yl)benzamide has a molecular weight of 413.26 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(5-iodo-4-methyl-2-propylimidazol-1-yl)benzamide is sourced from PubChem (CID 11269925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).