2-(2-bromophenoxy)-N-[(1-ethylbenzimidazol-2-yl)methylideneamino]acetamide

C18H17BrN4O2 — CID 4137829

IUPAC2-(2-bromophenoxy)-N-[(1-ethylbenzimidazol-2-yl)methylideneamino]acetamide
SMILESCCn1c(C=NNC(=O)COc2ccccc2Br)nc2ccccc21
InChIInChI=1S/C18H17BrN4O2/c1-2-23-15-9-5-4-8-14(15)21-17(23)11-20-22-18(24)12-25-16-10-6-3-7-13(16)19/h3-11H,2,12H2,1H3,(H,22,24)
InChIKeyVRYDFHSEUMCZKD-UHFFFAOYSA-N
MW401.26 g/mol
LogP3.35
Rot. Bonds6

About 2-(2-bromophenoxy)-N-[(1-ethylbenzimidazol-2-yl)methylideneamino]acetamide

2-(2-bromophenoxy)-N-[(1-ethylbenzimidazol-2-yl)methylideneamino]acetamide (PubChem CID 4137829) has the molecular formula C18H17BrN4O2 and a molecular weight of 401.26 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-[(1-ethylbenzimidazol-2-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-[(1-ethylbenzimidazol-2-yl)methylideneamino]acetamide
PubChem CID4137829
Molecular FormulaC18H17BrN4O2
Molecular Weight401.26 g/mol
Exact Mass400.05
IUPAC Name2-(2-bromophenoxy)-N-[(1-ethylbenzimidazol-2-yl)methylideneamino]acetamide
SMILESCCn1c(C=NNC(=O)COc2ccccc2Br)nc2ccccc21
InChIInChI=1S/C18H17BrN4O2/c1-2-23-15-9-5-4-8-14(15)21-17(23)11-20-22-18(24)12-25-16-10-6-3-7-13(16)19/h3-11H,2,12H2,1H3,(H,22,24)
InChIKeyVRYDFHSEUMCZKD-UHFFFAOYSA-N
XLogP3.35
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.26
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(1-ethylbenzimidazol-2-yl)methylideneamino]-2-hydroxybenzamide
CID 44791043
2-(2-bromophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135610844
2-(2-bromophenoxy)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide
CID 5398283
2-(2-bromophenoxy)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135541771
N-[(4-bromo-5-methylthiophen-2-yl)methylideneamino]-2-(2-bromophenoxy)acetamide
CID 1271118
2-(2-bromophenoxy)-N-[(Z)-(2-chlorophenyl)methylideneamino]acetamide
CID 6083444
(NE)-N-[(1-ethylbenzimidazol-2-yl)methylidene]hydroxylamine
CID 136636081
2-(2-bromophenoxy)-N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]acetamide
CID 56663382
N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 1185603
2-(2-bromophenoxy)-N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide
CID 19189983
2-bromo-N-[(1-methylbenzimidazol-2-yl)methylideneamino]benzamide
CID 1349987
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 135987751

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-[(1-ethylbenzimidazol-2-yl)methylideneamino]acetamide?
The IUPAC name of 2-(2-bromophenoxy)-N-[(1-ethylbenzimidazol-2-yl)methylideneamino]acetamide (CID 4137829) is 2-(2-bromophenoxy)-N-[(1-ethylbenzimidazol-2-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-[(1-ethylbenzimidazol-2-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-[(1-ethylbenzimidazol-2-yl)methylideneamino]acetamide is CCn1c(C=NNC(=O)COc2ccccc2Br)nc2ccccc21.
What is the InChIKey of 2-(2-bromophenoxy)-N-[(1-ethylbenzimidazol-2-yl)methylideneamino]acetamide?
The InChIKey is VRYDFHSEUMCZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4O2/c1-2-23-15-9-5-4-8-14(15)21-17(23)11-20-22-18(24)12-25-16-10-6-3-7-13(16)19/h3-11H,2,12H2,1H3,(H,22,24).
What are the key properties of 2-(2-bromophenoxy)-N-[(1-ethylbenzimidazol-2-yl)methylideneamino]acetamide?
2-(2-bromophenoxy)-N-[(1-ethylbenzimidazol-2-yl)methylideneamino]acetamide has a molecular weight of 401.26 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-N-[(1-ethylbenzimidazol-2-yl)methylideneamino]acetamide is sourced from PubChem (CID 4137829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).