N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-ethoxyphenyl)propanamide

C20H23N3O2 — CID 37218639

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1CCC(=O)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C20H23N3O2/c1-2-25-18-10-6-3-7-15(18)11-12-20(24)21-14-13-19-22-16-8-4-5-9-17(16)23-19/h3-10H,2,11-14H2,1H3,(H,21,24)(H,22,23)
InChIKeyVKMUJSXULPSITD-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.25
Rot. Bonds8

About N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-ethoxyphenyl)propanamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-ethoxyphenyl)propanamide (PubChem CID 37218639) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-ethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-ethoxyphenyl)propanamide
PubChem CID37218639
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1CCC(=O)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C20H23N3O2/c1-2-25-18-10-6-3-7-15(18)11-12-20(24)21-14-13-19-22-16-8-4-5-9-17(16)23-19/h3-10H,2,11-14H2,1H3,(H,21,24)(H,22,23)
InChIKeyVKMUJSXULPSITD-UHFFFAOYSA-N
XLogP3.25
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-ethylphenoxy)acetamide
CID 19175653
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 21008938
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxybenzamide
CID 2066664
N-(1H-benzimidazol-2-yl)-3-(2-ethoxyphenyl)propanamide
CID 35808218
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxyacetamide
CID 43229187
3-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 43229201
N-(1H-benzimidazol-2-ylmethyl)-3-(2-methoxyphenyl)propanamide
CID 18105005
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 707834
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(2-ethoxyphenyl)propanamide
CID 51208011
4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]pentanamide;dihydrochloride
CID 120564313
4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutanoate
CID 6997429
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-ethylurea
CID 43224751

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-ethoxyphenyl)propanamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-ethoxyphenyl)propanamide (CID 37218639) is N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-ethoxyphenyl)propanamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-ethoxyphenyl)propanamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-ethoxyphenyl)propanamide is CCOc1ccccc1CCC(=O)NCCc1nc2ccccc2[nH]1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-ethoxyphenyl)propanamide?
The InChIKey is VKMUJSXULPSITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-2-25-18-10-6-3-7-15(18)11-12-20(24)21-14-13-19-22-16-8-4-5-9-17(16)23-19/h3-10H,2,11-14H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-ethoxyphenyl)propanamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-ethoxyphenyl)propanamide has a molecular weight of 337.42 g/mol, XLogP of 3.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-ethoxyphenyl)propanamide is sourced from PubChem (CID 37218639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).