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

C22H27N3O2 — CID 16971721

IUPACN-[1-[1-(3-methylbutyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
SMILESCC(C)CCn1c(C(C)NC(=O)COc2ccccc2)nc2ccccc21
InChIInChI=1S/C22H27N3O2/c1-16(2)13-14-25-20-12-8-7-11-19(20)24-22(25)17(3)23-21(26)15-27-18-9-5-4-6-10-18/h4-12,16-17H,13-15H2,1-3H3,(H,23,26)
InChIKeyWDZMPIKKCJOYCP-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.34
Rot. Bonds8

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

N-[1-[1-(3-methylbutyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide (PubChem CID 16971721) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[1-[1-(3-methylbutyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[1-[1-(3-methylbutyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
PubChem CID16971721
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[1-[1-(3-methylbutyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
SMILESCC(C)CCn1c(C(C)NC(=O)COc2ccccc2)nc2ccccc21
InChIInChI=1S/C22H27N3O2/c1-16(2)13-14-25-20-12-8-7-11-19(20)24-22(25)17(3)23-21(26)15-27-18-9-5-4-6-10-18/h4-12,16-17H,13-15H2,1-3H3,(H,23,26)
InChIKeyWDZMPIKKCJOYCP-UHFFFAOYSA-N
XLogP4.34
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971833
N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971716
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-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971767
2-(4-chlorophenoxy)-N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]acetamide
CID 16971885
2-phenoxy-N-[1-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16971762
2-(4-chlorophenoxy)-N-[1-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]acetamide
CID 16971996
N-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 4753702
2-[2-[1-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 16972001
2-(4-chlorophenoxy)-N-[1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16971935

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(3-methylbutyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[1-[1-(3-methylbutyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide (CID 16971721) is N-[1-[1-(3-methylbutyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[1-[1-(3-methylbutyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[1-[1-(3-methylbutyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide is CC(C)CCn1c(C(C)NC(=O)COc2ccccc2)nc2ccccc21.
What is the InChIKey of N-[1-[1-(3-methylbutyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide?
The InChIKey is WDZMPIKKCJOYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-16(2)13-14-25-20-12-8-7-11-19(20)24-22(25)17(3)23-21(26)15-27-18-9-5-4-6-10-18/h4-12,16-17H,13-15H2,1-3H3,(H,23,26).
What are the key properties of N-[1-[1-(3-methylbutyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide?
N-[1-[1-(3-methylbutyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide has a molecular weight of 365.48 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(3-methylbutyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 16971721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).