5-chloro-2-iodo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide

C16H13ClIN3O2 — CID 55972322

IUPAC5-chloro-2-iodo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cc(Cl)ccc1I)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H13ClIN3O2/c1-8(9-2-5-13-14(6-9)21-16(23)20-13)19-15(22)11-7-10(17)3-4-12(11)18/h2-8H,1H3,(H,19,22)(H2,20,21,23)
InChIKeyMFNCLZIYZBRGMV-UHFFFAOYSA-N
MW441.66 g/mol
LogP3.61
Rot. Bonds3

About 5-chloro-2-iodo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide

5-chloro-2-iodo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide (PubChem CID 55972322) has the molecular formula C16H13ClIN3O2 and a molecular weight of 441.66 g/mol. Its IUPAC name is 5-chloro-2-iodo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-iodo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
PubChem CID55972322
Molecular FormulaC16H13ClIN3O2
Molecular Weight441.66 g/mol
Exact Mass440.97
IUPAC Name5-chloro-2-iodo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cc(Cl)ccc1I)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H13ClIN3O2/c1-8(9-2-5-13-14(6-9)21-16(23)20-13)19-15(22)11-7-10(17)3-4-12(11)18/h2-8H,1H3,(H,19,22)(H2,20,21,23)
InChIKeyMFNCLZIYZBRGMV-UHFFFAOYSA-N
XLogP3.61
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.66
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-N-[(1S)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1H-pyridine-3-carboxamide
CID 94147869
2-bromo-2-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide
CID 114327723
3-chloro-N-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1H-indole-2-carboxamide
CID 52520664
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-iodobenzamide
CID 2242817
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-iodobenzamide
CID 2242814
5-chloro-2-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 92538270
2-(3-chlorophenyl)-4-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 55736571
N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 63047659
(2S)-2-[(5-chloro-2-iodobenzoyl)amino]-3-methylbutanoic acid
CID 103804174
5-[1-(4-chlorophenyl)ethylamino]-1,3-dihydrobenzimidazol-2-one
CID 43201877
5-[1-(3-chloroanilino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43201238
1-amino-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]cyclopentane-1-carboxamide
CID 60867027

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-iodo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide?
The IUPAC name of 5-chloro-2-iodo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide (CID 55972322) is 5-chloro-2-iodo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 5-chloro-2-iodo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide?
The canonical SMILES for 5-chloro-2-iodo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide is CC(NC(=O)c1cc(Cl)ccc1I)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-chloro-2-iodo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide?
The InChIKey is MFNCLZIYZBRGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClIN3O2/c1-8(9-2-5-13-14(6-9)21-16(23)20-13)19-15(22)11-7-10(17)3-4-12(11)18/h2-8H,1H3,(H,19,22)(H2,20,21,23).
What are the key properties of 5-chloro-2-iodo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide?
5-chloro-2-iodo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide has a molecular weight of 441.66 g/mol, XLogP of 3.61, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-iodo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 55972322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).