N-[[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]propanamide

C20H23N3O2 — CID 17006087

IUPACN-[[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1nc2ccccc2n1CCOc1ccc(C)cc1
InChIInChI=1S/C20H23N3O2/c1-3-20(24)21-14-19-22-17-6-4-5-7-18(17)23(19)12-13-25-16-10-8-15(2)9-11-16/h4-11H,3,12-14H2,1-2H3,(H,21,24)
InChIKeyXLXDIPIIIIJKAN-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.45
Rot. Bonds7

About N-[[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]propanamide

N-[[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]propanamide (PubChem CID 17006087) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]propanamide
PubChem CID17006087
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1nc2ccccc2n1CCOc1ccc(C)cc1
InChIInChI=1S/C20H23N3O2/c1-3-20(24)21-14-19-22-17-6-4-5-7-18(17)23(19)12-13-25-16-10-8-15(2)9-11-16/h4-11H,3,12-14H2,1-2H3,(H,21,24)
InChIKeyXLXDIPIIIIJKAN-UHFFFAOYSA-N
XLogP3.45
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988066
2-ethyl-N-[2-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974759
N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]acetamide
CID 17005925
N-[3-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide
CID 16980720
N-[[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 16971461
2,4-dimethyl-N-[[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17007092
N-[[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17006840
N-[3-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide
CID 16980755
2-methoxy-N-[[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17007722
2,2-dimethyl-N-[3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide
CID 4754850
N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]cyclopropanecarboxamide
CID 16969825
N-[[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17007160

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]propanamide?
The IUPAC name of N-[[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]propanamide (CID 17006087) is N-[[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]propanamide.
What is the SMILES notation for N-[[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]propanamide?
The canonical SMILES for N-[[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]propanamide is CCC(=O)NCc1nc2ccccc2n1CCOc1ccc(C)cc1.
What is the InChIKey of N-[[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]propanamide?
The InChIKey is XLXDIPIIIIJKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-3-20(24)21-14-19-22-17-6-4-5-7-18(17)23(19)12-13-25-16-10-8-15(2)9-11-16/h4-11H,3,12-14H2,1-2H3,(H,21,24).
What are the key properties of N-[[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]propanamide?
N-[[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]propanamide has a molecular weight of 337.42 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]propanamide is sourced from PubChem (CID 17006087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).