N-[1-methyl-3-(2-phenoxyethyl)benzimidazol-2-ylidene]acetamide

C18H19N3O2 — CID 827999

IUPACN-[1-methyl-3-(2-phenoxyethyl)benzimidazol-2-ylidene]acetamide
SMILESCC(=O)/N=c1\n(C)c2ccccc2n1CCOc1ccccc1
InChIInChI=1S/C18H19N3O2/c1-14(22)19-18-20(2)16-10-6-7-11-17(16)21(18)12-13-23-15-8-4-3-5-9-15/h3-11H,12-13H2,1-2H3/b19-18+
InChIKeyJEFRBBRQTQOKSK-VHEBQXMUSA-N
MW309.37 g/mol
LogP2.51
Rot. Bonds4

About N-[1-methyl-3-(2-phenoxyethyl)benzimidazol-2-ylidene]acetamide

N-[1-methyl-3-(2-phenoxyethyl)benzimidazol-2-ylidene]acetamide (PubChem CID 827999) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[1-methyl-3-(2-phenoxyethyl)benzimidazol-2-ylidene]acetamide.

Molecular Properties

Compound NameN-[1-methyl-3-(2-phenoxyethyl)benzimidazol-2-ylidene]acetamide
PubChem CID827999
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-[1-methyl-3-(2-phenoxyethyl)benzimidazol-2-ylidene]acetamide
SMILESCC(=O)/N=c1\n(C)c2ccccc2n1CCOc1ccccc1
InChIInChI=1S/C18H19N3O2/c1-14(22)19-18-20(2)16-10-6-7-11-17(16)21(18)12-13-23-15-8-4-3-5-9-15/h3-11H,12-13H2,1-2H3/b19-18+
InChIKeyJEFRBBRQTQOKSK-VHEBQXMUSA-N
XLogP2.51
TPSA48.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-3-(2-phenoxyethyl)benzimidazol-2-ylidene]acetamide?
The IUPAC name of N-[1-methyl-3-(2-phenoxyethyl)benzimidazol-2-ylidene]acetamide (CID 827999) is N-[1-methyl-3-(2-phenoxyethyl)benzimidazol-2-ylidene]acetamide.
What is the SMILES notation for N-[1-methyl-3-(2-phenoxyethyl)benzimidazol-2-ylidene]acetamide?
The canonical SMILES for N-[1-methyl-3-(2-phenoxyethyl)benzimidazol-2-ylidene]acetamide is CC(=O)/N=c1\n(C)c2ccccc2n1CCOc1ccccc1.
What is the InChIKey of N-[1-methyl-3-(2-phenoxyethyl)benzimidazol-2-ylidene]acetamide?
The InChIKey is JEFRBBRQTQOKSK-VHEBQXMUSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-14(22)19-18-20(2)16-10-6-7-11-17(16)21(18)12-13-23-15-8-4-3-5-9-15/h3-11H,12-13H2,1-2H3/b19-18+.
What are the key properties of N-[1-methyl-3-(2-phenoxyethyl)benzimidazol-2-ylidene]acetamide?
N-[1-methyl-3-(2-phenoxyethyl)benzimidazol-2-ylidene]acetamide has a molecular weight of 309.37 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-3-(2-phenoxyethyl)benzimidazol-2-ylidene]acetamide is sourced from PubChem (CID 827999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).