2-methoxy-N-[1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide

C20H23N3O2 — CID 16969176

IUPAC2-methoxy-N-[1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
SMILESCOCC(=O)NC(C)c1nc2ccccc2n1Cc1cccc(C)c1
InChIInChI=1S/C20H23N3O2/c1-14-7-6-8-16(11-14)12-23-18-10-5-4-9-17(18)22-20(23)15(2)21-19(24)13-25-3/h4-11,15H,12-13H2,1-3H3,(H,21,24)
InChIKeyDHPOXGMFHXJLMS-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.22
Rot. Bonds6

About 2-methoxy-N-[1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide

2-methoxy-N-[1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide (PubChem CID 16969176) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-methoxy-N-[1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
PubChem CID16969176
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-methoxy-N-[1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
SMILESCOCC(=O)NC(C)c1nc2ccccc2n1Cc1cccc(C)c1
InChIInChI=1S/C20H23N3O2/c1-14-7-6-8-16(11-14)12-23-18-10-5-4-9-17(18)22-20(23)15(2)21-19(24)13-25-3/h4-11,15H,12-13H2,1-3H3,(H,21,24)
InChIKeyDHPOXGMFHXJLMS-UHFFFAOYSA-N
XLogP3.22
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972530
N-[(1S)-1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide
CID 7025717
2-methoxy-N-[1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16969177
2-methoxy-N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]acetamide
CID 16969160
2-methoxy-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide
CID 5013260
2-methoxy-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]acetamide
CID 16969198
N-[(1R)-1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]formamide
CID 7366479
N-[(1R)-1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide
CID 34958984
N-[1-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide
CID 16969258
2-methoxy-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 751110
N-[(1R)-1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 7694098
2-[2-[1-[(2-methoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 16969282

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide?
The IUPAC name of 2-methoxy-N-[1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide (CID 16969176) is 2-methoxy-N-[1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide?
The canonical SMILES for 2-methoxy-N-[1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide is COCC(=O)NC(C)c1nc2ccccc2n1Cc1cccc(C)c1.
What is the InChIKey of 2-methoxy-N-[1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide?
The InChIKey is DHPOXGMFHXJLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14-7-6-8-16(11-14)12-23-18-10-5-4-9-17(18)22-20(23)15(2)21-19(24)13-25-3/h4-11,15H,12-13H2,1-3H3,(H,21,24).
What are the key properties of 2-methoxy-N-[1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide?
2-methoxy-N-[1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide has a molecular weight of 337.42 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 16969176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).