N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-pyrrolidin-3-ylacetamide

C21H24N4O2 — CID 119551273

IUPACN-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-pyrrolidin-3-ylacetamide
SMILESCN(C(=O)Cn1c(COc2ccccc2)nc2ccccc21)C1CCNC1
InChIInChI=1S/C21H24N4O2/c1-24(16-11-12-22-13-16)21(26)14-25-19-10-6-5-9-18(19)23-20(25)15-27-17-7-3-2-4-8-17/h2-10,16,22H,11-15H2,1H3
InChIKeyQTCLIJGTHLGVGS-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.44
Rot. Bonds6

About N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-pyrrolidin-3-ylacetamide

N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-pyrrolidin-3-ylacetamide (PubChem CID 119551273) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound NameN-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-pyrrolidin-3-ylacetamide
PubChem CID119551273
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-pyrrolidin-3-ylacetamide
SMILESCN(C(=O)Cn1c(COc2ccccc2)nc2ccccc21)C1CCNC1
InChIInChI=1S/C21H24N4O2/c1-24(16-11-12-22-13-16)21(26)14-25-19-10-6-5-9-18(19)23-20(25)15-27-17-7-3-2-4-8-17/h2-10,16,22H,11-15H2,1H3
InChIKeyQTCLIJGTHLGVGS-UHFFFAOYSA-N
XLogP2.44
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dicyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 16997064
N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-piperidin-4-ylacetamide;dihydrochloride
CID 119441759
N-benzyl-N-cyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 16997050
N-cyclohexyl-N-methyl-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
CID 16999431
N-benzyl-N-cyclohexyl-2-[2-[(4-ethylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 16998435
2-(2-benzylbenzimidazol-1-yl)-N-cyclohexyl-N-methylacetamide
CID 16995633
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-cyclopropyl-N-propan-2-ylacetamide
CID 112816966
N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 60600997
1-(cyclopropylmethyl)-2-(phenoxymethyl)benzimidazole
CID 139007627
N-benzyl-2-[2-[(4-tert-butylphenoxy)methyl]benzimidazol-1-yl]-N-cyclohexylacetamide
CID 16998804
N-cyclohexyl-N-methyl-2-[2-(2-phenylethyl)benzimidazol-1-yl]acetamide
CID 16999536
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 37207886

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-pyrrolidin-3-ylacetamide?
The IUPAC name of N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-pyrrolidin-3-ylacetamide (CID 119551273) is N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-pyrrolidin-3-ylacetamide.
What is the SMILES notation for N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-pyrrolidin-3-ylacetamide?
The canonical SMILES for N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-pyrrolidin-3-ylacetamide is CN(C(=O)Cn1c(COc2ccccc2)nc2ccccc21)C1CCNC1.
What is the InChIKey of N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-pyrrolidin-3-ylacetamide?
The InChIKey is QTCLIJGTHLGVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-24(16-11-12-22-13-16)21(26)14-25-19-10-6-5-9-18(19)23-20(25)15-27-17-7-3-2-4-8-17/h2-10,16,22H,11-15H2,1H3.
What are the key properties of N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-pyrrolidin-3-ylacetamide?
N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-pyrrolidin-3-ylacetamide has a molecular weight of 364.45 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 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-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 119551273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).