2-[(2R)-4-acetyl-2-(2-methoxyphenyl)piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide

C22H25N5O4 — CID 125018257

IUPAC2-[(2R)-4-acetyl-2-(2-methoxyphenyl)piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESCOc1ccccc1[C@@H]1CN(C(C)=O)CCN1CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C22H25N5O4/c1-14(28)26-9-10-27(19(12-26)16-5-3-4-6-20(16)31-2)13-21(29)23-15-7-8-17-18(11-15)25-22(30)24-17/h3-8,11,19H,9-10,12-13H2,1-2H3,(H,23,29)(H2,24,25,30)/t19-/m0/s1
InChIKeyXNMRYGIIVUWSMG-IBGZPJMESA-N
MW423.47 g/mol
LogP1.71
Rot. Bonds5

About 2-[(2R)-4-acetyl-2-(2-methoxyphenyl)piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide

2-[(2R)-4-acetyl-2-(2-methoxyphenyl)piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (PubChem CID 125018257) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is 2-[(2R)-4-acetyl-2-(2-methoxyphenyl)piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[(2R)-4-acetyl-2-(2-methoxyphenyl)piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
PubChem CID125018257
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC Name2-[(2R)-4-acetyl-2-(2-methoxyphenyl)piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESCOc1ccccc1[C@@H]1CN(C(C)=O)CCN1CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C22H25N5O4/c1-14(28)26-9-10-27(19(12-26)16-5-3-4-6-20(16)31-2)13-21(29)23-15-7-8-17-18(11-15)25-22(30)24-17/h3-8,11,19H,9-10,12-13H2,1-2H3,(H,23,29)(H2,24,25,30)/t19-/m0/s1
InChIKeyXNMRYGIIVUWSMG-IBGZPJMESA-N
XLogP1.71
TPSA110.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-acetyl-2-(2-methoxyphenyl)piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 110122264
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 112507549
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-methoxybenzoate
CID 24684694
1-[(3S)-3-(2-methoxyphenyl)-4-(pyrimidin-5-ylmethyl)piperazin-1-yl]ethanone
CID 124953559
1-[(3R)-4-[(1-hydroxycyclohexyl)methyl]-3-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 124939881
(2R)-4-benzyl-N-methyl-1-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]piperazine-2-carboxamide
CID 125016570
1-[4-[(4-hydroxyoxan-4-yl)methyl]-3-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 110109329
(2R)-2-(2-methoxyanilino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 9274065
2-morpholin-4-yl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 4975216
tert-butyl (3S)-4-[2-(carbamoylamino)-2-oxoethyl]-3-(2-methoxyphenyl)piperazine-1-carboxylate
CID 100736080
1-[(3R)-3-(2-methoxyphenyl)-4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
CID 124976201
1-[(2S)-4-acetyl-2-(2-methoxyphenyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 124947831

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-acetyl-2-(2-methoxyphenyl)piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The IUPAC name of 2-[(2R)-4-acetyl-2-(2-methoxyphenyl)piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (CID 125018257) is 2-[(2R)-4-acetyl-2-(2-methoxyphenyl)piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-[(2R)-4-acetyl-2-(2-methoxyphenyl)piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The canonical SMILES for 2-[(2R)-4-acetyl-2-(2-methoxyphenyl)piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is COc1ccccc1[C@@H]1CN(C(C)=O)CCN1CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 2-[(2R)-4-acetyl-2-(2-methoxyphenyl)piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The InChIKey is XNMRYGIIVUWSMG-IBGZPJMESA-N. The full InChI is InChI=1S/C22H25N5O4/c1-14(28)26-9-10-27(19(12-26)16-5-3-4-6-20(16)31-2)13-21(29)23-15-7-8-17-18(11-15)25-22(30)24-17/h3-8,11,19H,9-10,12-13H2,1-2H3,(H,23,29)(H2,24,25,30)/t19-/m0/s1.
What are the key properties of 2-[(2R)-4-acetyl-2-(2-methoxyphenyl)piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
2-[(2R)-4-acetyl-2-(2-methoxyphenyl)piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide has a molecular weight of 423.47 g/mol, XLogP of 1.71, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-acetyl-2-(2-methoxyphenyl)piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is sourced from PubChem (CID 125018257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).