N-(1H-benzimidazol-2-ylmethyl)-2-methoxy-N-methylacetamide

C12H15N3O2 — CID 47159982

IUPACN-(1H-benzimidazol-2-ylmethyl)-2-methoxy-N-methylacetamide
SMILESCOCC(=O)N(C)Cc1nc2ccccc2[nH]1
InChIInChI=1S/C12H15N3O2/c1-15(12(16)8-17-2)7-11-13-9-5-3-4-6-10(9)14-11/h3-6H,7-8H2,1-2H3,(H,13,14)
InChIKeyGYPDEGMCCYACRH-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.17
Rot. Bonds4

About N-(1H-benzimidazol-2-ylmethyl)-2-methoxy-N-methylacetamide

N-(1H-benzimidazol-2-ylmethyl)-2-methoxy-N-methylacetamide (PubChem CID 47159982) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-2-methoxy-N-methylacetamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-2-methoxy-N-methylacetamide
PubChem CID47159982
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-2-methoxy-N-methylacetamide
SMILESCOCC(=O)N(C)Cc1nc2ccccc2[nH]1
InChIInChI=1S/C12H15N3O2/c1-15(12(16)8-17-2)7-11-13-9-5-3-4-6-10(9)14-11/h3-6H,7-8H2,1-2H3,(H,13,14)
InChIKeyGYPDEGMCCYACRH-UHFFFAOYSA-N
XLogP1.17
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-N,4-dimethylbenzamide
CID 36516617
N-(1H-benzimidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide
CID 36516329
N-(1H-benzimidazol-2-ylmethyl)-N-methyl-1H-imidazole-5-carboxamide
CID 86283854
N-(1H-benzimidazol-2-ylmethyl)-N,2,2-trimethylcyclopropane-1-carboxamide
CID 131949916
N-(1H-benzimidazol-2-ylmethyl)-N-methylcyclohexanecarboxamide
CID 36516588
2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(1H-benzimidazol-2-ylmethyl)-N-methylacetamide
CID 92854492
N-(1H-benzimidazol-2-ylmethyl)-4-(5-chlorothiophen-2-yl)-N-methyl-4-oxobutanamide
CID 36518894
N-(1H-benzimidazol-2-ylmethyl)-N-methyl-2-(3-phenylpropylsulfonyl)acetamide
CID 55690455
N-(1H-benzimidazol-2-ylmethyl)-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 55823818
3-[3-(1H-benzimidazol-2-yl)propanoyl-methylamino]propanoic acid
CID 60988746
1-(1H-benzimidazol-2-ylmethyl)-3-cyclopentyl-1-methylurea
CID 38220835
tert-butyl N-[2-[1H-benzimidazol-2-ylmethyl(methyl)amino]ethyl]-N-methylcarbamate
CID 54238697

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-methoxy-N-methylacetamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-methoxy-N-methylacetamide (CID 47159982) is N-(1H-benzimidazol-2-ylmethyl)-2-methoxy-N-methylacetamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-2-methoxy-N-methylacetamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-2-methoxy-N-methylacetamide is COCC(=O)N(C)Cc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-2-methoxy-N-methylacetamide?
The InChIKey is GYPDEGMCCYACRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-15(12(16)8-17-2)7-11-13-9-5-3-4-6-10(9)14-11/h3-6H,7-8H2,1-2H3,(H,13,14).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-2-methoxy-N-methylacetamide?
N-(1H-benzimidazol-2-ylmethyl)-2-methoxy-N-methylacetamide has a molecular weight of 233.27 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-2-methoxy-N-methylacetamide is sourced from PubChem (CID 47159982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).