2-(3-benzylbenzimidazol-3-ium-1-yl)-N-(2,6-dimethylphenyl)acetamide iodide

C24H24IN3O — CID 51058460

IUPAC2-(3-benzylbenzimidazol-3-ium-1-yl)-N-(2,6-dimethylphenyl)acetamide iodide
SMILESCc1cccc(C)c1NC(=O)Cn1c[n+](Cc2ccccc2)c2ccccc21.[I-]
InChIInChI=1S/C24H23N3O.HI/c1-18-9-8-10-19(2)24(18)25-23(28)16-27-17-26(15-20-11-4-3-5-12-20)21-13-6-7-14-22(21)27;/h3-14,17H,15-16H2,1-2H3;1H
InChIKeyKCKGBKYUSFZJCP-UHFFFAOYSA-N
MW497.38 g/mol
LogP1.24
Rot. Bonds5

About 2-(3-benzylbenzimidazol-3-ium-1-yl)-N-(2,6-dimethylphenyl)acetamide iodide

2-(3-benzylbenzimidazol-3-ium-1-yl)-N-(2,6-dimethylphenyl)acetamide iodide (PubChem CID 51058460) has the molecular formula C24H24IN3O and a molecular weight of 497.38 g/mol. Its IUPAC name is 2-(3-benzylbenzimidazol-3-ium-1-yl)-N-(2,6-dimethylphenyl)acetamide iodide.

Molecular Properties

Compound Name2-(3-benzylbenzimidazol-3-ium-1-yl)-N-(2,6-dimethylphenyl)acetamide iodide
PubChem CID51058460
Molecular FormulaC24H24IN3O
Molecular Weight497.38 g/mol
Exact Mass497.10
IUPAC Name2-(3-benzylbenzimidazol-3-ium-1-yl)-N-(2,6-dimethylphenyl)acetamide iodide
SMILESCc1cccc(C)c1NC(=O)Cn1c[n+](Cc2ccccc2)c2ccccc21.[I-]
InChIInChI=1S/C24H23N3O.HI/c1-18-9-8-10-19(2)24(18)25-23(28)16-27-17-26(15-20-11-4-3-5-12-20)21-13-6-7-14-22(21)27;/h3-14,17H,15-16H2,1-2H3;1H
InChIKeyKCKGBKYUSFZJCP-UHFFFAOYSA-N
XLogP1.24
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.38
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-benzylbenzimidazol-3-ium-1-yl)-N-(3,5-dimethylphenyl)acetamide iodide
CID 45053817
1,3-dibenzylbenzimidazol-3-ium chloride
CID 2933784
1-[2-(2,6-dimethylanilino)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325397
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-phenylacetamide
CID 7676704
1-benzyl-3-(3-bromopropyl)benzimidazol-1-ium
CID 102494246
N-(2-amino-6-methylphenyl)-2-indol-1-ylacetamide
CID 43376298
N-(2,6-dimethylphenyl)-2-(1-oxoisoquinolin-2-yl)acetamide
CID 9354354
1-benzyl-3-(2,6-dimethylphenyl)urea
CID 2823182
N-(2,6-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 710877
2-[4-(benzylamino)-2-oxoquinazolin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 56685509
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-(2,6-dimethylphenyl)acetamide
CID 7309454
2-(3-ethenylbenzimidazol-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 8856281

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzylbenzimidazol-3-ium-1-yl)-N-(2,6-dimethylphenyl)acetamide iodide?
The IUPAC name of 2-(3-benzylbenzimidazol-3-ium-1-yl)-N-(2,6-dimethylphenyl)acetamide iodide (CID 51058460) is 2-(3-benzylbenzimidazol-3-ium-1-yl)-N-(2,6-dimethylphenyl)acetamide iodide.
What is the SMILES notation for 2-(3-benzylbenzimidazol-3-ium-1-yl)-N-(2,6-dimethylphenyl)acetamide iodide?
The canonical SMILES for 2-(3-benzylbenzimidazol-3-ium-1-yl)-N-(2,6-dimethylphenyl)acetamide iodide is Cc1cccc(C)c1NC(=O)Cn1c[n+](Cc2ccccc2)c2ccccc21.[I-].
What is the InChIKey of 2-(3-benzylbenzimidazol-3-ium-1-yl)-N-(2,6-dimethylphenyl)acetamide iodide?
The InChIKey is KCKGBKYUSFZJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O.HI/c1-18-9-8-10-19(2)24(18)25-23(28)16-27-17-26(15-20-11-4-3-5-12-20)21-13-6-7-14-22(21)27;/h3-14,17H,15-16H2,1-2H3;1H.
What are the key properties of 2-(3-benzylbenzimidazol-3-ium-1-yl)-N-(2,6-dimethylphenyl)acetamide iodide?
2-(3-benzylbenzimidazol-3-ium-1-yl)-N-(2,6-dimethylphenyl)acetamide iodide has a molecular weight of 497.38 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzylbenzimidazol-3-ium-1-yl)-N-(2,6-dimethylphenyl)acetamide iodide is sourced from PubChem (CID 51058460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).