3-(1,3-benzodioxol-5-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide

C20H21N3O3 — CID 51277028

IUPAC3-(1,3-benzodioxol-5-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide
SMILESCCn1c(CNC(=O)CCc2ccc3c(c2)OCO3)nc2ccccc21
InChIInChI=1S/C20H21N3O3/c1-2-23-16-6-4-3-5-15(16)22-19(23)12-21-20(24)10-8-14-7-9-17-18(11-14)26-13-25-17/h3-7,9,11H,2,8,10,12-13H2,1H3,(H,21,24)
InChIKeyUPAJWVSBAIZBGA-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.03
Rot. Bonds6

About 3-(1,3-benzodioxol-5-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide

3-(1,3-benzodioxol-5-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide (PubChem CID 51277028) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide
PubChem CID51277028
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide
SMILESCCn1c(CNC(=O)CCc2ccc3c(c2)OCO3)nc2ccccc21
InChIInChI=1S/C20H21N3O3/c1-2-23-16-6-4-3-5-15(16)22-19(23)12-21-20(24)10-8-14-7-9-17-18(11-14)26-13-25-17/h3-7,9,11H,2,8,10,12-13H2,1H3,(H,21,24)
InChIKeyUPAJWVSBAIZBGA-UHFFFAOYSA-N
XLogP3.03
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324360
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 17477086
N-(1,3-benzodioxol-5-ylmethyl)-3-(1-ethylindol-5-yl)propanamide
CID 71840842
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]acetamide
CID 75490204
N-[(1-pentylbenzimidazol-2-yl)methyl]-3-phenylpropanamide
CID 16970596
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide
CID 71899076
3-(1,3-benzodioxol-5-yl)-N-(2-phenylbutyl)propanamide
CID 46657659
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-pyridin-3-ylbenzimidazol-1-yl)acetamide
CID 30867751
N-[(1-ethylbenzimidazol-2-yl)methyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 24549115
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide
CID 40511262
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2H-indazol-3-yl)acetamide
CID 49373016
N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-phenylpropanamide
CID 16970595

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide (CID 51277028) is 3-(1,3-benzodioxol-5-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide is CCn1c(CNC(=O)CCc2ccc3c(c2)OCO3)nc2ccccc21.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide?
The InChIKey is UPAJWVSBAIZBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-2-23-16-6-4-3-5-15(16)22-19(23)12-21-20(24)10-8-14-7-9-17-18(11-14)26-13-25-17/h3-7,9,11H,2,8,10,12-13H2,1H3,(H,21,24).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide?
3-(1,3-benzodioxol-5-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide has a molecular weight of 351.41 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide is sourced from PubChem (CID 51277028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).