N-[1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide

C26H27N3O3 — CID 16971767

IUPACN-[1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
SMILESCc1cccc(OCCn2c(C(C)NC(=O)COc3ccccc3)nc3ccccc32)c1
InChIInChI=1S/C26H27N3O3/c1-19-9-8-12-22(17-19)31-16-15-29-24-14-7-6-13-23(24)28-26(29)20(2)27-25(30)18-32-21-10-4-3-5-11-21/h3-14,17,20H,15-16,18H2,1-2H3,(H,27,30)
InChIKeySXUPWICQGHLIML-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.68
Rot. Bonds9

About N-[1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide

N-[1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide (PubChem CID 16971767) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
PubChem CID16971767
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC NameN-[1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
SMILESCc1cccc(OCCn2c(C(C)NC(=O)COc3ccccc3)nc3ccccc32)c1
InChIInChI=1S/C26H27N3O3/c1-19-9-8-12-22(17-19)31-16-15-29-24-14-7-6-13-23(24)28-26(29)20(2)27-25(30)18-32-21-10-4-3-5-11-21/h3-14,17,20H,15-16,18H2,1-2H3,(H,27,30)
InChIKeySXUPWICQGHLIML-UHFFFAOYSA-N
XLogP4.68
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971833
N-[1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971773
N-[1-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971807
N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971779
N-[1-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]propanamide
CID 16968611
N-[1-[1-(3-methylbutyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971721
N-[(1S)-1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]formamide
CID 7366573
N-[(1R)-1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 93076028
3-methyl-N-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]benzamide
CID 16967105
N-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 4753702
N-[1-[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(2,5-dimethylphenoxy)acetamide
CID 16972093
N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971716

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide (CID 16971767) is N-[1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide is Cc1cccc(OCCn2c(C(C)NC(=O)COc3ccccc3)nc3ccccc32)c1.
What is the InChIKey of N-[1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide?
The InChIKey is SXUPWICQGHLIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-19-9-8-12-22(17-19)31-16-15-29-24-14-7-6-13-23(24)28-26(29)20(2)27-25(30)18-32-21-10-4-3-5-11-21/h3-14,17,20H,15-16,18H2,1-2H3,(H,27,30).
What are the key properties of N-[1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide?
N-[1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide has a molecular weight of 429.52 g/mol, XLogP of 4.68, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 16971767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).