2-[1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzimidazol-2-yl]-N-methylacetamide

C20H22N4O3 — CID 1153614

IUPAC2-[1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzimidazol-2-yl]-N-methylacetamide
SMILESCNC(=O)Cc1nc2ccccc2n1CC(=O)Nc1cc(C)ccc1OC
InChIInChI=1S/C20H22N4O3/c1-13-8-9-17(27-3)15(10-13)23-20(26)12-24-16-7-5-4-6-14(16)22-18(24)11-19(25)21-2/h4-10H,11-12H2,1-3H3,(H,21,25)(H,23,26)
InChIKeyKITIHHVIXUKJAO-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.28
Rot. Bonds6

About 2-[1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzimidazol-2-yl]-N-methylacetamide

2-[1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzimidazol-2-yl]-N-methylacetamide (PubChem CID 1153614) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-[1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzimidazol-2-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzimidazol-2-yl]-N-methylacetamide
PubChem CID1153614
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name2-[1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzimidazol-2-yl]-N-methylacetamide
SMILESCNC(=O)Cc1nc2ccccc2n1CC(=O)Nc1cc(C)ccc1OC
InChIInChI=1S/C20H22N4O3/c1-13-8-9-17(27-3)15(10-13)23-20(26)12-24-16-7-5-4-6-14(16)22-18(24)11-19(25)21-2/h4-10H,11-12H2,1-3H3,(H,21,25)(H,23,26)
InChIKeyKITIHHVIXUKJAO-UHFFFAOYSA-N
XLogP2.28
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 4880410
2-[2-(benzylamino)benzimidazol-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 9119353
2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]-N-methylacetamide
CID 1153553
2-(2-ethylbenzimidazol-1-yl)-N-(2-methoxyphenyl)acetamide
CID 5023490
2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-(4-methylphenyl)acetamide
CID 17032647
2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 17032461
2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 17032658
N-(2-methoxyphenyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 17426644
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(2-ethylbenzimidazol-1-yl)acetate
CID 55384666
N-(2,5-dimethylphenyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 17031795
N-[2-[1-[2-(2-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide
CID 17030325
N-(2,5-dimethylphenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
CID 17032273

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzimidazol-2-yl]-N-methylacetamide?
The IUPAC name of 2-[1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzimidazol-2-yl]-N-methylacetamide (CID 1153614) is 2-[1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzimidazol-2-yl]-N-methylacetamide.
What is the SMILES notation for 2-[1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzimidazol-2-yl]-N-methylacetamide?
The canonical SMILES for 2-[1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzimidazol-2-yl]-N-methylacetamide is CNC(=O)Cc1nc2ccccc2n1CC(=O)Nc1cc(C)ccc1OC.
What is the InChIKey of 2-[1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzimidazol-2-yl]-N-methylacetamide?
The InChIKey is KITIHHVIXUKJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-13-8-9-17(27-3)15(10-13)23-20(26)12-24-16-7-5-4-6-14(16)22-18(24)11-19(25)21-2/h4-10H,11-12H2,1-3H3,(H,21,25)(H,23,26).
What are the key properties of 2-[1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzimidazol-2-yl]-N-methylacetamide?
2-[1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzimidazol-2-yl]-N-methylacetamide has a molecular weight of 366.42 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzimidazol-2-yl]-N-methylacetamide is sourced from PubChem (CID 1153614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).