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

C22H27N3O2 — CID 16968624

IUPACN-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide
SMILESCCC(=O)NC(C)c1nc2ccccc2n1CCCOc1ccccc1C
InChIInChI=1S/C22H27N3O2/c1-4-21(26)23-17(3)22-24-18-11-6-7-12-19(18)25(22)14-9-15-27-20-13-8-5-10-16(20)2/h5-8,10-13,17H,4,9,14-15H2,1-3H3,(H,23,26)
InChIKeyYYRXXOOMUTUXJW-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.40
Rot. Bonds8

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

N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide (PubChem CID 16968624) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide
PubChem CID16968624
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide
SMILESCCC(=O)NC(C)c1nc2ccccc2n1CCCOc1ccccc1C
InChIInChI=1S/C22H27N3O2/c1-4-21(26)23-17(3)22-24-18-11-6-7-12-19(18)25(22)14-9-15-27-20-13-8-5-10-16(20)2/h5-8,10-13,17H,4,9,14-15H2,1-3H3,(H,23,26)
InChIKeyYYRXXOOMUTUXJW-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972578
N-[1-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967407
2-chloro-N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967691
4-methoxy-N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009690
N-[1-[1-[4-(2,3-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide
CID 16969257
N-[1-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
CID 16973237
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]pyridine-3-carboxamide
CID 16963819
N-[1-(1-undecylbenzimidazol-2-yl)ethyl]propanamide
CID 16968572
2-(2,5-dimethylphenoxy)-N-[1-[1-[4-(2,3-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16972135
N-[(1S)-1-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 42100788
N-[1-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide
CID 16969258

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide?
The IUPAC name of N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide (CID 16968624) is N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide.
What is the SMILES notation for N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide?
The canonical SMILES for N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide is CCC(=O)NC(C)c1nc2ccccc2n1CCCOc1ccccc1C.
What is the InChIKey of N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide?
The InChIKey is YYRXXOOMUTUXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-4-21(26)23-17(3)22-24-18-11-6-7-12-19(18)25(22)14-9-15-27-20-13-8-5-10-16(20)2/h5-8,10-13,17H,4,9,14-15H2,1-3H3,(H,23,26).
What are the key properties of N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide?
N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide has a molecular weight of 365.48 g/mol, XLogP of 4.40, 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-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide is sourced from PubChem (CID 16968624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).