N-[2-(1-benzylbenzimidazol-2-yl)ethyl]-2-methoxyacetamide

C19H21N3O2 — CID 16974552

IUPACN-[2-(1-benzylbenzimidazol-2-yl)ethyl]-2-methoxyacetamide
SMILESCOCC(=O)NCCc1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C19H21N3O2/c1-24-14-19(23)20-12-11-18-21-16-9-5-6-10-17(16)22(18)13-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,20,23)
InChIKeyDIBQXEODCASXFB-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.39
Rot. Bonds7

About N-[2-(1-benzylbenzimidazol-2-yl)ethyl]-2-methoxyacetamide

N-[2-(1-benzylbenzimidazol-2-yl)ethyl]-2-methoxyacetamide (PubChem CID 16974552) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[2-(1-benzylbenzimidazol-2-yl)ethyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[2-(1-benzylbenzimidazol-2-yl)ethyl]-2-methoxyacetamide
PubChem CID16974552
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[2-(1-benzylbenzimidazol-2-yl)ethyl]-2-methoxyacetamide
SMILESCOCC(=O)NCCc1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C19H21N3O2/c1-24-14-19(23)20-12-11-18-21-16-9-5-6-10-17(16)22(18)13-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,20,23)
InChIKeyDIBQXEODCASXFB-UHFFFAOYSA-N
XLogP2.39
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[3-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]propyl]acetamide
CID 16981288
N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16978942
2-methoxy-N-[2-(1-nonylbenzimidazol-2-yl)ethyl]acetamide
CID 16974546
N-[2-(1-benzylbenzimidazol-2-yl)ethyl]-2-ethylbutanamide
CID 16974712
N-[5-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-methoxyacetamide
CID 16988334
N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide
CID 4754944
2-methoxy-N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]acetamide
CID 16981376
N-[2-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16978475
N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide
CID 16974588
(E)-N-[2-(1-benzylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide
CID 18888843
3-phenyl-N-[2-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide
CID 16978263
N-[2-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide
CID 16974270

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylbenzimidazol-2-yl)ethyl]-2-methoxyacetamide?
The IUPAC name of N-[2-(1-benzylbenzimidazol-2-yl)ethyl]-2-methoxyacetamide (CID 16974552) is N-[2-(1-benzylbenzimidazol-2-yl)ethyl]-2-methoxyacetamide.
What is the SMILES notation for N-[2-(1-benzylbenzimidazol-2-yl)ethyl]-2-methoxyacetamide?
The canonical SMILES for N-[2-(1-benzylbenzimidazol-2-yl)ethyl]-2-methoxyacetamide is COCC(=O)NCCc1nc2ccccc2n1Cc1ccccc1.
What is the InChIKey of N-[2-(1-benzylbenzimidazol-2-yl)ethyl]-2-methoxyacetamide?
The InChIKey is DIBQXEODCASXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-24-14-19(23)20-12-11-18-21-16-9-5-6-10-17(16)22(18)13-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,20,23).
What are the key properties of N-[2-(1-benzylbenzimidazol-2-yl)ethyl]-2-methoxyacetamide?
N-[2-(1-benzylbenzimidazol-2-yl)ethyl]-2-methoxyacetamide has a molecular weight of 323.40 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylbenzimidazol-2-yl)ethyl]-2-methoxyacetamide is sourced from PubChem (CID 16974552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).