N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide

C22H27N3O3 — CID 16968767

IUPACN-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
SMILESCCCC(=O)NC(C)c1nc2ccccc2n1CCOc1cccc(OC)c1
InChIInChI=1S/C22H27N3O3/c1-4-8-21(26)23-16(2)22-24-19-11-5-6-12-20(19)25(22)13-14-28-18-10-7-9-17(15-18)27-3/h5-7,9-12,15-16H,4,8,13-14H2,1-3H3,(H,23,26)
InChIKeyDFAZEYTUUAXEPE-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.10
Rot. Bonds9

About N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide

N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide (PubChem CID 16968767) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide.

Molecular Properties

Compound NameN-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
PubChem CID16968767
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
SMILESCCCC(=O)NC(C)c1nc2ccccc2n1CCOc1cccc(OC)c1
InChIInChI=1S/C22H27N3O3/c1-4-8-21(26)23-16(2)22-24-19-11-5-6-12-20(19)25(22)13-14-28-18-10-7-9-17(15-18)27-3/h5-7,9-12,15-16H,4,8,13-14H2,1-3H3,(H,23,26)
InChIKeyDFAZEYTUUAXEPE-UHFFFAOYSA-N
XLogP4.10
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16969072
N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16969373
N-[1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972591
1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethanol
CID 16995356
N-[1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16968167
N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16619714
4-methoxy-N-[1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009703
N-[1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16970027
N-[1-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide
CID 16970219
N-[1-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]propanamide
CID 16968611
N-[1-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]butanamide
CID 16968787
N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 16973385

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide?
The IUPAC name of N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide (CID 16968767) is N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide.
What is the SMILES notation for N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide?
The canonical SMILES for N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide is CCCC(=O)NC(C)c1nc2ccccc2n1CCOc1cccc(OC)c1.
What is the InChIKey of N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide?
The InChIKey is DFAZEYTUUAXEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-4-8-21(26)23-16(2)22-24-19-11-5-6-12-20(19)25(22)13-14-28-18-10-7-9-17(15-18)27-3/h5-7,9-12,15-16H,4,8,13-14H2,1-3H3,(H,23,26).
What are the key properties of N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide?
N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide has a molecular weight of 381.48 g/mol, XLogP of 4.10, 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-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide is sourced from PubChem (CID 16968767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).