N-[1-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]propanamide

C22H27N3O2 — CID 16968651

IUPACN-[1-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]propanamide
SMILESCCC(=O)NC(C)c1nc2ccccc2n1CCOc1ccc(C)c(C)c1
InChIInChI=1S/C22H27N3O2/c1-5-21(26)23-17(4)22-24-19-8-6-7-9-20(19)25(22)12-13-27-18-11-10-15(2)16(3)14-18/h6-11,14,17H,5,12-13H2,1-4H3,(H,23,26)
InChIKeyFZZQKYFSVSMXDN-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.32
Rot. Bonds7

About N-[1-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]propanamide

N-[1-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]propanamide (PubChem CID 16968651) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[1-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-[1-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]propanamide
PubChem CID16968651
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[1-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]propanamide
SMILESCCC(=O)NC(C)c1nc2ccccc2n1CCOc1ccc(C)c(C)c1
InChIInChI=1S/C22H27N3O2/c1-5-21(26)23-17(4)22-24-19-8-6-7-9-20(19)25(22)12-13-27-18-11-10-15(2)16(3)14-18/h6-11,14,17H,5,12-13H2,1-4H3,(H,23,26)
InChIKeyFZZQKYFSVSMXDN-UHFFFAOYSA-N
XLogP4.32
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]propanamide
CID 16968611
N-[(1S)-1-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 42100714
N-[1-[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16967574
N-[1-[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965481
N-[1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971767
N-[3-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide
CID 16980755
N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16968767
N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]propanamide
CID 16968622
N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide
CID 16968624
N-[1-[1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972594
N-[1-[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
CID 16973220
N-[1-[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(2,5-dimethylphenoxy)acetamide
CID 16972093

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]propanamide?
The IUPAC name of N-[1-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]propanamide (CID 16968651) is N-[1-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]propanamide.
What is the SMILES notation for N-[1-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]propanamide?
The canonical SMILES for N-[1-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]propanamide is CCC(=O)NC(C)c1nc2ccccc2n1CCOc1ccc(C)c(C)c1.
What is the InChIKey of N-[1-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]propanamide?
The InChIKey is FZZQKYFSVSMXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-5-21(26)23-17(4)22-24-19-8-6-7-9-20(19)25(22)12-13-27-18-11-10-15(2)16(3)14-18/h6-11,14,17H,5,12-13H2,1-4H3,(H,23,26).
What are the key properties of N-[1-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]propanamide?
N-[1-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]propanamide has a molecular weight of 365.48 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]propanamide is sourced from PubChem (CID 16968651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).