N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide

C22H21N3O2S — CID 60600997

IUPACN-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)Cn1c(COc2ccccc2)nc2ccccc21
InChIInChI=1S/C22H21N3O2S/c1-24(13-17-11-12-28-16-17)22(26)14-25-20-10-6-5-9-19(20)23-21(25)15-27-18-7-3-2-4-8-18/h2-12,16H,13-15H2,1H3
InChIKeyKBIBTVZLFOOOKQ-UHFFFAOYSA-N
MW391.50 g/mol
LogP4.34
Rot. Bonds7

About N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide

N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 60600997) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide
PubChem CID60600997
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC NameN-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)Cn1c(COc2ccccc2)nc2ccccc21
InChIInChI=1S/C22H21N3O2S/c1-24(13-17-11-12-28-16-17)22(26)14-25-20-10-6-5-9-19(20)23-21(25)15-27-18-7-3-2-4-8-18/h2-12,16H,13-15H2,1H3
InChIKeyKBIBTVZLFOOOKQ-UHFFFAOYSA-N
XLogP4.34
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 17474837
N-benzyl-N-methyl-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]acetamide
CID 16999316
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 37207886
N-benzyl-N-methyl-2-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]acetamide
CID 16987485
N-(3-amino-4-methylpentyl)-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride
CID 119658469
N-benzyl-N-methyl-2-[2-[3-[(2-phenoxyacetyl)amino]propyl]benzimidazol-1-yl]acetamide
CID 16986352
N-benzyl-N-cyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 16997050
[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
CID 46607524
N-benzyl-N-methyl-2-[2-[5-[(2-phenoxyacetyl)amino]pentyl]benzimidazol-1-yl]acetamide
CID 16992973
N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-pyrrolidin-3-ylacetamide
CID 119551273
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 24624905
N,N-dicyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 16997064

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide (CID 60600997) is N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide is CN(Cc1ccsc1)C(=O)Cn1c(COc2ccccc2)nc2ccccc21.
What is the InChIKey of N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is KBIBTVZLFOOOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S/c1-24(13-17-11-12-28-16-17)22(26)14-25-20-10-6-5-9-19(20)23-21(25)15-27-18-7-3-2-4-8-18/h2-12,16H,13-15H2,1H3.
What are the key properties of N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide?
N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 391.50 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 60600997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).