2-iodo-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]benzamide

C18H16IN3O — CID 47084192

IUPAC2-iodo-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1I)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C18H16IN3O/c1-12(21-18(23)14-9-5-6-10-15(14)19)17-20-11-16(22-17)13-7-3-2-4-8-13/h2-12H,1H3,(H,20,22)(H,21,23)
InChIKeyHJNPXMONFOCGKG-UHFFFAOYSA-N
MW417.25 g/mol
LogP4.17
Rot. Bonds4

About 2-iodo-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]benzamide

2-iodo-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]benzamide (PubChem CID 47084192) has the molecular formula C18H16IN3O and a molecular weight of 417.25 g/mol. Its IUPAC name is 2-iodo-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]benzamide
PubChem CID47084192
Molecular FormulaC18H16IN3O
Molecular Weight417.25 g/mol
Exact Mass417.03
IUPAC Name2-iodo-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1I)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C18H16IN3O/c1-12(21-18(23)14-9-5-6-10-15(14)19)17-20-11-16(22-17)13-7-3-2-4-8-13/h2-12H,1H3,(H,20,22)(H,21,23)
InChIKeyHJNPXMONFOCGKG-UHFFFAOYSA-N
XLogP4.17
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.25
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]furan-3-carboxamide
CID 47084188
2,5-dimethyl-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]furan-3-carboxamide
CID 95595238
2,5-dimethyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]furan-3-carboxamide
CID 56822371
N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 94798661
5-methyl-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 95301132
N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 95979997
3-methylsulfonyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]benzamide
CID 47084197
1-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-3-pyridin-2-ylurea
CID 94825570
(1R)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]cyclohex-3-ene-1-carboxamide
CID 94806747
(1S)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]cyclohex-3-ene-1-carboxamide
CID 94806749
1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea
CID 94779070
(2R)-2-(2-ethoxyethoxy)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide
CID 94823273

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]benzamide?
The IUPAC name of 2-iodo-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]benzamide (CID 47084192) is 2-iodo-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-iodo-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]benzamide?
The canonical SMILES for 2-iodo-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]benzamide is CC(NC(=O)c1ccccc1I)c1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of 2-iodo-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]benzamide?
The InChIKey is HJNPXMONFOCGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16IN3O/c1-12(21-18(23)14-9-5-6-10-15(14)19)17-20-11-16(22-17)13-7-3-2-4-8-13/h2-12H,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-iodo-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]benzamide?
2-iodo-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]benzamide has a molecular weight of 417.25 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 47084192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).