N-(2-ethylphenyl)-2-[4-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]piperazin-1-yl]acetamide

C24H29N5O3 — CID 55507108

IUPACN-(2-ethylphenyl)-2-[4-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]piperazin-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)Cn2c(=O)n(C)c3ccccc32)CC1
InChIInChI=1S/C24H29N5O3/c1-3-18-8-4-5-9-19(18)25-22(30)16-27-12-14-28(15-13-27)23(31)17-29-21-11-7-6-10-20(21)26(2)24(29)32/h4-11H,3,12-17H2,1-2H3,(H,25,30)
InChIKeyXSAIBJQMGRFWRZ-UHFFFAOYSA-N
MW435.53 g/mol
LogP1.69
Rot. Bonds6

About N-(2-ethylphenyl)-2-[4-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]piperazin-1-yl]acetamide

N-(2-ethylphenyl)-2-[4-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]piperazin-1-yl]acetamide (PubChem CID 55507108) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[4-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[4-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]piperazin-1-yl]acetamide
PubChem CID55507108
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC NameN-(2-ethylphenyl)-2-[4-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]piperazin-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)Cn2c(=O)n(C)c3ccccc32)CC1
InChIInChI=1S/C24H29N5O3/c1-3-18-8-4-5-9-19(18)25-22(30)16-27-12-14-28(15-13-27)23(31)17-29-21-11-7-6-10-20(21)26(2)24(29)32/h4-11H,3,12-17H2,1-2H3,(H,25,30)
InChIKeyXSAIBJQMGRFWRZ-UHFFFAOYSA-N
XLogP1.69
TPSA79.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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2-[4-(3-aminobutanoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
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2-[4-[2-(4-benzoylpiperidin-1-yl)acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
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N-(2-ethylphenyl)-2-[4-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 24678044
2-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[4-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[4-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]piperazin-1-yl]acetamide (CID 55507108) is N-(2-ethylphenyl)-2-[4-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[4-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[4-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]piperazin-1-yl]acetamide is CCc1ccccc1NC(=O)CN1CCN(C(=O)Cn2c(=O)n(C)c3ccccc32)CC1.
What is the InChIKey of N-(2-ethylphenyl)-2-[4-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]piperazin-1-yl]acetamide?
The InChIKey is XSAIBJQMGRFWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-3-18-8-4-5-9-19(18)25-22(30)16-27-12-14-28(15-13-27)23(31)17-29-21-11-7-6-10-20(21)26(2)24(29)32/h4-11H,3,12-17H2,1-2H3,(H,25,30).
What are the key properties of N-(2-ethylphenyl)-2-[4-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]piperazin-1-yl]acetamide?
N-(2-ethylphenyl)-2-[4-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]piperazin-1-yl]acetamide has a molecular weight of 435.53 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[4-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 55507108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).