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

C20H21N3O2 — CID 16969825

IUPACN-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCc1nc2ccccc2n1CCOc1ccccc1)C1CC1
InChIInChI=1S/C20H21N3O2/c24-20(15-10-11-15)21-14-19-22-17-8-4-5-9-18(17)23(19)12-13-25-16-6-2-1-3-7-16/h1-9,15H,10-14H2,(H,21,24)
InChIKeyITYYSUMYDGPXGC-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.14
Rot. Bonds7

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

N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]cyclopropanecarboxamide (PubChem CID 16969825) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]cyclopropanecarboxamide
PubChem CID16969825
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCc1nc2ccccc2n1CCOc1ccccc1)C1CC1
InChIInChI=1S/C20H21N3O2/c24-20(15-10-11-15)21-14-19-22-17-8-4-5-9-18(17)23(19)12-13-25-16-6-2-1-3-7-16/h1-9,15H,10-14H2,(H,21,24)
InChIKeyITYYSUMYDGPXGC-UHFFFAOYSA-N
XLogP3.14
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]cyclohexanecarboxamide
CID 16968451
N-[[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]cyclopropanecarboxamide
CID 16969834
N-[[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
CID 16968473
N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]acetamide
CID 17005925
N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]prop-2-enamide
CID 16972240
N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974054
N-[(1-ethylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 16969775
N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 16975206
N-[(1-dodecylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 16969793
2-fluoro-N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]benzamide
CID 17007775
N-[3-[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981677
N-[[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]methyl]cyclopropanecarboxamide
CID 16969925

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]cyclopropanecarboxamide (CID 16969825) is N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]cyclopropanecarboxamide is O=C(NCc1nc2ccccc2n1CCOc1ccccc1)C1CC1.
What is the InChIKey of N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]cyclopropanecarboxamide?
The InChIKey is ITYYSUMYDGPXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c24-20(15-10-11-15)21-14-19-22-17-8-4-5-9-18(17)23(19)12-13-25-16-6-2-1-3-7-16/h1-9,15H,10-14H2,(H,21,24).
What are the key properties of N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]cyclopropanecarboxamide?
N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]cyclopropanecarboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.14, 7 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]cyclopropanecarboxamide is sourced from PubChem (CID 16969825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).