N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]acetamide

C18H19N3O2 — CID 17005925

IUPACN-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]acetamide
SMILESCC(=O)NCc1nc2ccccc2n1CCOc1ccccc1
InChIInChI=1S/C18H19N3O2/c1-14(22)19-13-18-20-16-9-5-6-10-17(16)21(18)11-12-23-15-7-3-2-4-8-15/h2-10H,11-13H2,1H3,(H,19,22)
InChIKeyYBLLZIIGIYDWMQ-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.75
Rot. Bonds6

About N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]acetamide

N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]acetamide (PubChem CID 17005925) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]acetamide
PubChem CID17005925
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]acetamide
SMILESCC(=O)NCc1nc2ccccc2n1CCOc1ccccc1
InChIInChI=1S/C18H19N3O2/c1-14(22)19-13-18-20-16-9-5-6-10-17(16)21(18)11-12-23-15-7-3-2-4-8-15/h2-10H,11-13H2,1H3,(H,19,22)
InChIKeyYBLLZIIGIYDWMQ-UHFFFAOYSA-N
XLogP2.75
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]prop-2-enamide
CID 16972240
N-[[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide
CID 17006002
N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]cyclopropanecarboxamide
CID 16969825
N-[[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]methyl]acetamide
CID 17005950
N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide
CID 17005993
N-[[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]methyl]acetamide
CID 17005978
2-methyl-N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]propanamide
CID 17006257
2-fluoro-N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]benzamide
CID 17007775
N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]cyclohexanecarboxamide
CID 16968451
3,4,5-trimethoxy-N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]benzamide
CID 17008563
N-[[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]propanamide
CID 17006087
2-methyl-N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16980411

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]acetamide?
The IUPAC name of N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]acetamide (CID 17005925) is N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]acetamide is CC(=O)NCc1nc2ccccc2n1CCOc1ccccc1.
What is the InChIKey of N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]acetamide?
The InChIKey is YBLLZIIGIYDWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-14(22)19-13-18-20-16-9-5-6-10-17(16)21(18)11-12-23-15-7-3-2-4-8-15/h2-10H,11-13H2,1H3,(H,19,22).
What are the key properties of N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]acetamide?
N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]acetamide has a molecular weight of 309.37 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]acetamide is sourced from PubChem (CID 17005925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).