3-(2-ethylbenzimidazol-1-yl)-N-(oxolan-3-ylmethyl)propanamide

C17H23N3O2 — CID 119068190

IUPAC3-(2-ethylbenzimidazol-1-yl)-N-(oxolan-3-ylmethyl)propanamide
SMILESCCc1nc2ccccc2n1CCC(=O)NCC1CCOC1
InChIInChI=1S/C17H23N3O2/c1-2-16-19-14-5-3-4-6-15(14)20(16)9-7-17(21)18-11-13-8-10-22-12-13/h3-6,13H,2,7-12H2,1H3,(H,18,21)
InChIKeyVWSPKWYTVGERET-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.14
Rot. Bonds6

About 3-(2-ethylbenzimidazol-1-yl)-N-(oxolan-3-ylmethyl)propanamide

3-(2-ethylbenzimidazol-1-yl)-N-(oxolan-3-ylmethyl)propanamide (PubChem CID 119068190) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-(2-ethylbenzimidazol-1-yl)-N-(oxolan-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2-ethylbenzimidazol-1-yl)-N-(oxolan-3-ylmethyl)propanamide
PubChem CID119068190
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name3-(2-ethylbenzimidazol-1-yl)-N-(oxolan-3-ylmethyl)propanamide
SMILESCCc1nc2ccccc2n1CCC(=O)NCC1CCOC1
InChIInChI=1S/C17H23N3O2/c1-2-16-19-14-5-3-4-6-15(14)20(16)9-7-17(21)18-11-13-8-10-22-12-13/h3-6,13H,2,7-12H2,1H3,(H,18,21)
InChIKeyVWSPKWYTVGERET-UHFFFAOYSA-N
XLogP2.14
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-3-(2-ethylbenzimidazol-1-yl)propanamide
CID 99961864
N-cyclopropyl-3-(2-ethylbenzimidazol-1-yl)propanamide
CID 115602213
3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-3-ylmethyl)propanamide
CID 53499763
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-[2-(hydroxymethyl)benzimidazol-1-yl]propanamide
CID 97146068
2-(2-ethylbenzimidazol-1-yl)-N-(oxan-4-yl)acetamide
CID 115588669
3-(2-ethylbenzimidazol-1-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]propanamide
CID 91839928
3-(2-ethylbenzimidazol-1-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
CID 135091628
3-(2-ethylbenzimidazol-1-yl)-N-methylsulfonylpropanamide
CID 154814647
3-(2-ethylbenzimidazol-1-yl)-N-(4-methoxycyclohexyl)propanamide
CID 90647636
3-(2-ethylbenzimidazol-1-yl)propanoic acid chloride
CID 53347020
3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(oxolan-3-ylmethyl)propanamide
CID 55659140
1,7-bis(2-ethylbenzimidazol-1-yl)heptan-4-one
CID 139073818

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylbenzimidazol-1-yl)-N-(oxolan-3-ylmethyl)propanamide?
The IUPAC name of 3-(2-ethylbenzimidazol-1-yl)-N-(oxolan-3-ylmethyl)propanamide (CID 119068190) is 3-(2-ethylbenzimidazol-1-yl)-N-(oxolan-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(2-ethylbenzimidazol-1-yl)-N-(oxolan-3-ylmethyl)propanamide?
The canonical SMILES for 3-(2-ethylbenzimidazol-1-yl)-N-(oxolan-3-ylmethyl)propanamide is CCc1nc2ccccc2n1CCC(=O)NCC1CCOC1.
What is the InChIKey of 3-(2-ethylbenzimidazol-1-yl)-N-(oxolan-3-ylmethyl)propanamide?
The InChIKey is VWSPKWYTVGERET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-2-16-19-14-5-3-4-6-15(14)20(16)9-7-17(21)18-11-13-8-10-22-12-13/h3-6,13H,2,7-12H2,1H3,(H,18,21).
What are the key properties of 3-(2-ethylbenzimidazol-1-yl)-N-(oxolan-3-ylmethyl)propanamide?
3-(2-ethylbenzimidazol-1-yl)-N-(oxolan-3-ylmethyl)propanamide has a molecular weight of 301.39 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylbenzimidazol-1-yl)-N-(oxolan-3-ylmethyl)propanamide is sourced from PubChem (CID 119068190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).