2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C17H21N5O2 — CID 47015272

IUPAC2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCCn1c(=O)n(CC(=O)Nc2c(C)nn(C)c2C)c2ccccc21
InChIInChI=1S/C17H21N5O2/c1-5-21-13-8-6-7-9-14(13)22(17(21)24)10-15(23)18-16-11(2)19-20(4)12(16)3/h6-9H,5,10H2,1-4H3,(H,18,23)
InChIKeyHAIMJMVMLXQCAE-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.81
Rot. Bonds4

About 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 47015272) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID47015272
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCCn1c(=O)n(CC(=O)Nc2c(C)nn(C)c2C)c2ccccc21
InChIInChI=1S/C17H21N5O2/c1-5-21-13-8-6-7-9-14(13)22(17(21)24)10-15(23)18-16-11(2)19-20(4)12(16)3/h6-9H,5,10H2,1-4H3,(H,18,23)
InChIKeyHAIMJMVMLXQCAE-UHFFFAOYSA-N
XLogP1.81
TPSA73.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 46958965
2-(2-methylindol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 71690037
3-oxo-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 110473196
2-(4-phenylpiperazin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 26551937
N-(2-ethylphenyl)-2-[4-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperazin-1-yl]acetamide
CID 8795402
3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 19346499
N-cyclopropyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 17445359
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 18121498
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 8986816
4-oxo-4-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)butanamide
CID 20969113
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 24626387
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 7704200

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 47015272) is 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is CCn1c(=O)n(CC(=O)Nc2c(C)nn(C)c2C)c2ccccc21.
What is the InChIKey of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is HAIMJMVMLXQCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-5-21-13-8-6-7-9-14(13)22(17(21)24)10-15(23)18-16-11(2)19-20(4)12(16)3/h6-9H,5,10H2,1-4H3,(H,18,23).
What are the key properties of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 327.39 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 47015272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).