N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-(2-oxopiperazin-1-yl)acetamide

C17H23N5O2 — CID 124686566

IUPACN-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-(2-oxopiperazin-1-yl)acetamide
SMILESCCn1c([C@@H](C)NC(=O)CN2CCNCC2=O)nc2ccccc21
InChIInChI=1S/C17H23N5O2/c1-3-22-14-7-5-4-6-13(14)20-17(22)12(2)19-15(23)11-21-9-8-18-10-16(21)24/h4-7,12,18H,3,8-11H2,1-2H3,(H,19,23)/t12-/m1/s1
InChIKeyJQLYABIJJSJTPM-GFCCVEGCSA-N
MW329.40 g/mol
LogP0.67
Rot. Bonds5

About N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-(2-oxopiperazin-1-yl)acetamide

N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-(2-oxopiperazin-1-yl)acetamide (PubChem CID 124686566) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-(2-oxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-(2-oxopiperazin-1-yl)acetamide
PubChem CID124686566
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-(2-oxopiperazin-1-yl)acetamide
SMILESCCn1c([C@@H](C)NC(=O)CN2CCNCC2=O)nc2ccccc21
InChIInChI=1S/C17H23N5O2/c1-3-22-14-7-5-4-6-13(14)20-17(22)12(2)19-15(23)11-21-9-8-18-10-16(21)24/h4-7,12,18H,3,8-11H2,1-2H3,(H,19,23)/t12-/m1/s1
InChIKeyJQLYABIJJSJTPM-GFCCVEGCSA-N
XLogP0.67
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pentanamide
CID 60597479
4-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pentanamide
CID 120565069
2-(2-oxopiperazin-1-yl)-N-propan-2-ylacetamide
CID 62311797
N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]propanamide
CID 17029919
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119866240
2-ethyl-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide
CID 16968998
N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propanamide
CID 751204
1-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]cyclopropane-1-carboxamide
CID 119866200
N-[(1R)-1-(1-propylbenzimidazol-2-yl)ethyl]propanamide
CID 751155
3-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-3-phenylpropanamide;dihydrochloride
CID 119953447
N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 95234003
2-(4-ethylpiperazin-1-yl)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 131944683

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-(2-oxopiperazin-1-yl)acetamide?
The IUPAC name of N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-(2-oxopiperazin-1-yl)acetamide (CID 124686566) is N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-(2-oxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-(2-oxopiperazin-1-yl)acetamide?
The canonical SMILES for N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-(2-oxopiperazin-1-yl)acetamide is CCn1c([C@@H](C)NC(=O)CN2CCNCC2=O)nc2ccccc21.
What is the InChIKey of N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-(2-oxopiperazin-1-yl)acetamide?
The InChIKey is JQLYABIJJSJTPM-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-3-22-14-7-5-4-6-13(14)20-17(22)12(2)19-15(23)11-21-9-8-18-10-16(21)24/h4-7,12,18H,3,8-11H2,1-2H3,(H,19,23)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-(2-oxopiperazin-1-yl)acetamide?
N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-(2-oxopiperazin-1-yl)acetamide has a molecular weight of 329.40 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-(2-oxopiperazin-1-yl)acetamide is sourced from PubChem (CID 124686566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).