N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide

C22H20ClN3O2S — CID 37207886

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)Cn1c(COc2ccccc2)nc2ccccc21
InChIInChI=1S/C22H20ClN3O2S/c1-25(13-17-11-12-20(23)29-17)22(27)14-26-19-10-6-5-9-18(19)24-21(26)15-28-16-7-3-2-4-8-16/h2-12H,13-15H2,1H3
InChIKeyRYPVYCOCBPCFHL-UHFFFAOYSA-N
MW425.94 g/mol
LogP4.99
Rot. Bonds7

About N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide

N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide (PubChem CID 37207886) has the molecular formula C22H20ClN3O2S and a molecular weight of 425.94 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
PubChem CID37207886
Molecular FormulaC22H20ClN3O2S
Molecular Weight425.94 g/mol
Exact Mass425.10
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)Cn1c(COc2ccccc2)nc2ccccc21
InChIInChI=1S/C22H20ClN3O2S/c1-25(13-17-11-12-20(23)29-17)22(27)14-26-19-10-6-5-9-18(19)24-21(26)15-28-16-7-3-2-4-8-16/h2-12H,13-15H2,1H3
InChIKeyRYPVYCOCBPCFHL-UHFFFAOYSA-N
XLogP4.99
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.94
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 60600997
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-(3-amino-4-methylpentyl)-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride
CID 119658469
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-ethyl-N-phenylacetamide
CID 16997147
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 24624905
N-(3-acetamidopropyl)-2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-methylacetamide
CID 86967889
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)acetamide
CID 51132746
N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-pyrrolidin-3-ylacetamide
CID 119551273
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 46576586
N-benzyl-N-methyl-2-[2-[3-[(2-phenoxyacetyl)amino]propyl]benzimidazol-1-yl]acetamide
CID 16986352
N,N-dicyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 16997064

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide (CID 37207886) is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide is CN(Cc1ccc(Cl)s1)C(=O)Cn1c(COc2ccccc2)nc2ccccc21.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide?
The InChIKey is RYPVYCOCBPCFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2S/c1-25(13-17-11-12-20(23)29-17)22(27)14-26-19-10-6-5-9-18(19)24-21(26)15-28-16-7-3-2-4-8-16/h2-12H,13-15H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide has a molecular weight of 425.94 g/mol, XLogP of 4.99, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 37207886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).