2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]-N-methylacetamide

C18H18N4O2 — CID 1153553

IUPAC2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]-N-methylacetamide
SMILESCNC(=O)Cc1nc2ccccc2n1CC(=O)Nc1ccccc1
InChIInChI=1S/C18H18N4O2/c1-19-17(23)11-16-21-14-9-5-6-10-15(14)22(16)12-18(24)20-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,19,23)(H,20,24)
InChIKeyNQBYZPQTFHLYDI-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.96
Rot. Bonds5

About 2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]-N-methylacetamide

2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]-N-methylacetamide (PubChem CID 1153553) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]-N-methylacetamide
PubChem CID1153553
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]-N-methylacetamide
SMILESCNC(=O)Cc1nc2ccccc2n1CC(=O)Nc1ccccc1
InChIInChI=1S/C18H18N4O2/c1-19-17(23)11-16-21-14-9-5-6-10-15(14)22(16)12-18(24)20-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,19,23)(H,20,24)
InChIKeyNQBYZPQTFHLYDI-UHFFFAOYSA-N
XLogP1.96
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-2-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]acetamide
CID 19242930
N-(4-anilinophenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 55457213
N-[3-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]propyl]-2-methylpropanamide
CID 17031053
2-(2-aminobenzimidazol-1-yl)-N-phenylacetamide
CID 82358872
2-[1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzimidazol-2-yl]-N-methylacetamide
CID 1153614
2-(2-benzylbenzimidazol-1-yl)-N-(4-fluorophenyl)acetamide
CID 17032358
N-phenyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028613
N-[2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]butanamide
CID 17030370
N-[[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17029353
N-(4-chlorophenyl)-2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]acetamide
CID 17032405
N-(4-tert-butylphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 4566508
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-phenylacetamide
CID 17032157

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]-N-methylacetamide?
The IUPAC name of 2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]-N-methylacetamide (CID 1153553) is 2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]-N-methylacetamide.
What is the SMILES notation for 2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]-N-methylacetamide?
The canonical SMILES for 2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]-N-methylacetamide is CNC(=O)Cc1nc2ccccc2n1CC(=O)Nc1ccccc1.
What is the InChIKey of 2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]-N-methylacetamide?
The InChIKey is NQBYZPQTFHLYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-19-17(23)11-16-21-14-9-5-6-10-15(14)22(16)12-18(24)20-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,19,23)(H,20,24).
What are the key properties of 2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]-N-methylacetamide?
2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]-N-methylacetamide has a molecular weight of 322.37 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]-N-methylacetamide is sourced from PubChem (CID 1153553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).