N-(1-ethylbenzimidazol-2-yl)-2-iodobenzamide

C16H14IN3O — CID 27897993

IUPACN-(1-ethylbenzimidazol-2-yl)-2-iodobenzamide
SMILESCCn1c(NC(=O)c2ccccc2I)nc2ccccc21
InChIInChI=1S/C16H14IN3O/c1-2-20-14-10-6-5-9-13(14)18-16(20)19-15(21)11-7-3-4-8-12(11)17/h3-10H,2H2,1H3,(H,18,19,21)
InChIKeySZADBNFXTVAQBB-UHFFFAOYSA-N
MW391.21 g/mol
LogP3.91
Rot. Bonds3

About N-(1-ethylbenzimidazol-2-yl)-2-iodobenzamide

N-(1-ethylbenzimidazol-2-yl)-2-iodobenzamide (PubChem CID 27897993) has the molecular formula C16H14IN3O and a molecular weight of 391.21 g/mol. Its IUPAC name is N-(1-ethylbenzimidazol-2-yl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(1-ethylbenzimidazol-2-yl)-2-iodobenzamide
PubChem CID27897993
Molecular FormulaC16H14IN3O
Molecular Weight391.21 g/mol
Exact Mass391.02
IUPAC NameN-(1-ethylbenzimidazol-2-yl)-2-iodobenzamide
SMILESCCn1c(NC(=O)c2ccccc2I)nc2ccccc21
InChIInChI=1S/C16H14IN3O/c1-2-20-14-10-6-5-9-13(14)18-16(20)19-15(21)11-7-3-4-8-12(11)17/h3-10H,2H2,1H3,(H,18,19,21)
InChIKeySZADBNFXTVAQBB-UHFFFAOYSA-N
XLogP3.91
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.21
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-ethylbenzimidazol-2-yl)-2-methoxypyridine-3-carboxamide
CID 43053714
N-(1-ethylbenzimidazol-2-yl)-6-methylpyridine-2-carboxamide
CID 46540923
2-[2-(dimethylamino)ethoxy]-N-(1-ethylbenzimidazol-2-yl)benzamide
CID 46970461
4-cyano-N-(1-ethylbenzimidazol-2-yl)benzamide
CID 27148276
2-amino-N-(1-ethylbenzimidazol-2-yl)acetamide;hydrochloride
CID 119265457
5-chloro-N-(1-ethylbenzimidazol-2-yl)-2-methoxybenzamide
CID 27898030
(1-ethylbenzimidazol-2-yl)carbamoyl acetate
CID 127259054
N-(1-ethylbenzimidazol-2-yl)-3,4,5-trimethoxybenzamide
CID 17417130
3-amino-N-(1-ethylbenzimidazol-2-yl)butanamide
CID 119678530
4-bromo-N-(1-ethylbenzimidazol-2-yl)-2-methyl-1H-pyrazol-2-ium-5-carboxamide
CID 4745006
7-amino-N-(1-ethylbenzimidazol-2-yl)heptanamide
CID 119678504
2-[2-[(1-propylbenzimidazol-2-yl)carbamoyl]phenyl]sulfanylpropanoic acid
CID 119179376

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylbenzimidazol-2-yl)-2-iodobenzamide?
The IUPAC name of N-(1-ethylbenzimidazol-2-yl)-2-iodobenzamide (CID 27897993) is N-(1-ethylbenzimidazol-2-yl)-2-iodobenzamide.
What is the SMILES notation for N-(1-ethylbenzimidazol-2-yl)-2-iodobenzamide?
The canonical SMILES for N-(1-ethylbenzimidazol-2-yl)-2-iodobenzamide is CCn1c(NC(=O)c2ccccc2I)nc2ccccc21.
What is the InChIKey of N-(1-ethylbenzimidazol-2-yl)-2-iodobenzamide?
The InChIKey is SZADBNFXTVAQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14IN3O/c1-2-20-14-10-6-5-9-13(14)18-16(20)19-15(21)11-7-3-4-8-12(11)17/h3-10H,2H2,1H3,(H,18,19,21).
What are the key properties of N-(1-ethylbenzimidazol-2-yl)-2-iodobenzamide?
N-(1-ethylbenzimidazol-2-yl)-2-iodobenzamide has a molecular weight of 391.21 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylbenzimidazol-2-yl)-2-iodobenzamide is sourced from PubChem (CID 27897993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).