3-(4-ethoxyphenyl)-N-(1-ethylbenzimidazol-2-yl)propanamide

C20H23N3O2 — CID 60572664

IUPAC3-(4-ethoxyphenyl)-N-(1-ethylbenzimidazol-2-yl)propanamide
SMILESCCOc1ccc(CCC(=O)Nc2nc3ccccc3n2CC)cc1
InChIInChI=1S/C20H23N3O2/c1-3-23-18-8-6-5-7-17(18)21-20(23)22-19(24)14-11-15-9-12-16(13-10-15)25-4-2/h5-10,12-13H,3-4,11,14H2,1-2H3,(H,21,22,24)
InChIKeyYSBQKQYZKHCRHA-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.03
Rot. Bonds7

About 3-(4-ethoxyphenyl)-N-(1-ethylbenzimidazol-2-yl)propanamide

3-(4-ethoxyphenyl)-N-(1-ethylbenzimidazol-2-yl)propanamide (PubChem CID 60572664) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-N-(1-ethylbenzimidazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-N-(1-ethylbenzimidazol-2-yl)propanamide
PubChem CID60572664
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name3-(4-ethoxyphenyl)-N-(1-ethylbenzimidazol-2-yl)propanamide
SMILESCCOc1ccc(CCC(=O)Nc2nc3ccccc3n2CC)cc1
InChIInChI=1S/C20H23N3O2/c1-3-23-18-8-6-5-7-17(18)21-20(23)22-19(24)14-11-15-9-12-16(13-10-15)25-4-2/h5-10,12-13H,3-4,11,14H2,1-2H3,(H,21,22,24)
InChIKeyYSBQKQYZKHCRHA-UHFFFAOYSA-N
XLogP4.03
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethylbenzimidazol-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 6494094
2-amino-N-(1-ethylbenzimidazol-2-yl)acetamide;hydrochloride
CID 119265457
7-amino-N-(1-ethylbenzimidazol-2-yl)heptanamide
CID 119678504
3-(4-methylphenoxy)-N-(1-propylbenzimidazol-2-yl)propanamide
CID 8914517
N-(4-ethoxyphenyl)-2-[2-(2-phenylethyl)benzimidazol-1-yl]acetamide
CID 17031709
3-amino-N-(1-ethylbenzimidazol-2-yl)butanamide
CID 119678530
(1-ethylbenzimidazol-2-yl)carbamoyl acetate
CID 127259054
4-amino-N-(1-ethylbenzimidazol-2-yl)-3-methoxybutanamide
CID 120586690
3-[4-[2-(4-ethoxyanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide
CID 53129317
N-(4-ethoxyphenyl)-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 3460449
N-(4-ethoxyphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 78767015
2-(4-cyanoanilino)-N-(1-ethylbenzimidazol-2-yl)acetamide
CID 60563007

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-N-(1-ethylbenzimidazol-2-yl)propanamide?
The IUPAC name of 3-(4-ethoxyphenyl)-N-(1-ethylbenzimidazol-2-yl)propanamide (CID 60572664) is 3-(4-ethoxyphenyl)-N-(1-ethylbenzimidazol-2-yl)propanamide.
What is the SMILES notation for 3-(4-ethoxyphenyl)-N-(1-ethylbenzimidazol-2-yl)propanamide?
The canonical SMILES for 3-(4-ethoxyphenyl)-N-(1-ethylbenzimidazol-2-yl)propanamide is CCOc1ccc(CCC(=O)Nc2nc3ccccc3n2CC)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-N-(1-ethylbenzimidazol-2-yl)propanamide?
The InChIKey is YSBQKQYZKHCRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-3-23-18-8-6-5-7-17(18)21-20(23)22-19(24)14-11-15-9-12-16(13-10-15)25-4-2/h5-10,12-13H,3-4,11,14H2,1-2H3,(H,21,22,24).
What are the key properties of 3-(4-ethoxyphenyl)-N-(1-ethylbenzimidazol-2-yl)propanamide?
3-(4-ethoxyphenyl)-N-(1-ethylbenzimidazol-2-yl)propanamide has a molecular weight of 337.42 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-N-(1-ethylbenzimidazol-2-yl)propanamide is sourced from PubChem (CID 60572664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).