N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(2-ethylbenzimidazol-1-yl)butanamide

C20H21N5O2 — CID 72937875

IUPACN-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(2-ethylbenzimidazol-1-yl)butanamide
SMILESCCc1nc2ccccc2n1C(CC)C(=O)NCc1ccc2nonc2c1
InChIInChI=1S/C20H21N5O2/c1-3-17(25-18-8-6-5-7-15(18)22-19(25)4-2)20(26)21-12-13-9-10-14-16(11-13)24-27-23-14/h5-11,17H,3-4,12H2,1-2H3,(H,21,26)
InChIKeyWORMNZYOFNIJDJ-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.40
Rot. Bonds6

About N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(2-ethylbenzimidazol-1-yl)butanamide

N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(2-ethylbenzimidazol-1-yl)butanamide (PubChem CID 72937875) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(2-ethylbenzimidazol-1-yl)butanamide.

Molecular Properties

Compound NameN-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(2-ethylbenzimidazol-1-yl)butanamide
PubChem CID72937875
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(2-ethylbenzimidazol-1-yl)butanamide
SMILESCCc1nc2ccccc2n1C(CC)C(=O)NCc1ccc2nonc2c1
InChIInChI=1S/C20H21N5O2/c1-3-17(25-18-8-6-5-7-15(18)22-19(25)4-2)20(26)21-12-13-9-10-14-16(11-13)24-27-23-14/h5-11,17H,3-4,12H2,1-2H3,(H,21,26)
InChIKeyWORMNZYOFNIJDJ-UHFFFAOYSA-N
XLogP3.40
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(2-ethylbenzimidazol-1-yl)-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]butanamide
CID 136804352
2-(2-ethylbenzimidazol-1-yl)-N-[(3-ethylimidazol-4-yl)methyl]butanamide
CID 72896685
N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-(2-ethylbenzimidazol-1-yl)butanamide
CID 72875268
2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-4-ylmethyl)butanamide
CID 42810631
ethyl 2-(2-ethylbenzimidazol-1-yl)pentanoate
CID 83038109
(2R)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-3-ylmethyl)butanamide
CID 93301422
ethyl 2-(2-propylbenzimidazol-1-yl)butanoate
CID 115970669
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(3-chlorophenyl)methyl]benzimidazol-1-yl]pentanamide
CID 51066899
2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methoxyethyl)butanamide
CID 42810626
3-[2-(2-propylbenzimidazol-1-yl)butanoylamino]cyclobutane-1-carboxylic acid
CID 119062330
3-(2-ethylbenzimidazol-1-yl)-2-methylbutanehydrazide
CID 79405139
N-(1,3-benzodioxol-5-ylmethyl)-2-indazol-1-ylbutanamide
CID 122176591

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(2-ethylbenzimidazol-1-yl)butanamide?
The IUPAC name of N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(2-ethylbenzimidazol-1-yl)butanamide (CID 72937875) is N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(2-ethylbenzimidazol-1-yl)butanamide.
What is the SMILES notation for N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(2-ethylbenzimidazol-1-yl)butanamide?
The canonical SMILES for N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(2-ethylbenzimidazol-1-yl)butanamide is CCc1nc2ccccc2n1C(CC)C(=O)NCc1ccc2nonc2c1.
What is the InChIKey of N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(2-ethylbenzimidazol-1-yl)butanamide?
The InChIKey is WORMNZYOFNIJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-3-17(25-18-8-6-5-7-15(18)22-19(25)4-2)20(26)21-12-13-9-10-14-16(11-13)24-27-23-14/h5-11,17H,3-4,12H2,1-2H3,(H,21,26).
What are the key properties of N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(2-ethylbenzimidazol-1-yl)butanamide?
N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(2-ethylbenzimidazol-1-yl)butanamide has a molecular weight of 363.42 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(2-ethylbenzimidazol-1-yl)butanamide is sourced from PubChem (CID 72937875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).