3-(1H-benzimidazol-2-yl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide

C20H23N3O4 — CID 32519791

IUPAC3-(1H-benzimidazol-2-yl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide
SMILESCOCCOc1cc(NC(=O)CCc2nc3ccccc3[nH]2)ccc1OC
InChIInChI=1S/C20H23N3O4/c1-25-11-12-27-18-13-14(7-8-17(18)26-2)21-20(24)10-9-19-22-15-5-3-4-6-16(15)23-19/h3-8,13H,9-12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyITRICMSCRUEESA-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.17
Rot. Bonds9

About 3-(1H-benzimidazol-2-yl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide

3-(1H-benzimidazol-2-yl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide (PubChem CID 32519791) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide
PubChem CID32519791
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name3-(1H-benzimidazol-2-yl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide
SMILESCOCCOc1cc(NC(=O)CCc2nc3ccccc3[nH]2)ccc1OC
InChIInChI=1S/C20H23N3O4/c1-25-11-12-27-18-13-14(7-8-17(18)26-2)21-20(24)10-9-19-22-15-5-3-4-6-16(15)23-19/h3-8,13H,9-12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyITRICMSCRUEESA-UHFFFAOYSA-N
XLogP3.17
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 44773909
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CID 53131237
3-(1H-benzimidazol-2-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 25325404
3-(1H-benzimidazol-2-yl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide
CID 35955668
3-(1H-benzimidazol-2-yl)-N-(4-bromophenyl)propanamide
CID 18811132
ethyl 3-[3-(1H-benzimidazol-2-yl)propanoylamino]benzoate
CID 34202274
3-(1H-benzimidazol-2-yl)-N-[4-(diethylamino)phenyl]propanamide
CID 46567336
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 2091179
3-(1H-benzimidazol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 37162962
N-[3-(1H-benzimidazol-2-yl)propyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 30358126
3-(1H-benzimidazol-2-yl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide
CID 34035103
3-[3-(1H-benzimidazol-2-yl)propanoylamino]-N,N-diethylbenzamide
CID 35955630

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide (CID 32519791) is 3-(1H-benzimidazol-2-yl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide is COCCOc1cc(NC(=O)CCc2nc3ccccc3[nH]2)ccc1OC.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide?
The InChIKey is ITRICMSCRUEESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-25-11-12-27-18-13-14(7-8-17(18)26-2)21-20(24)10-9-19-22-15-5-3-4-6-16(15)23-19/h3-8,13H,9-12H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide?
3-(1H-benzimidazol-2-yl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide has a molecular weight of 369.42 g/mol, XLogP of 3.17, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide is sourced from PubChem (CID 32519791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).