N-[3-[1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]acetamide

C23H29N3O2 — CID 16980575

IUPACN-[3-[1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]acetamide
SMILESCC(=O)NCCCc1nc2ccccc2n1CCOc1ccc(C(C)C)cc1
InChIInChI=1S/C23H29N3O2/c1-17(2)19-10-12-20(13-11-19)28-16-15-26-22-8-5-4-7-21(22)25-23(26)9-6-14-24-18(3)27/h4-5,7-8,10-13,17H,6,9,14-16H2,1-3H3,(H,24,27)
InChIKeyWIKFLVBUGUVSTQ-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.31
Rot. Bonds9

About N-[3-[1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]acetamide

N-[3-[1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]acetamide (PubChem CID 16980575) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[3-[1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]acetamide
PubChem CID16980575
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[3-[1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]acetamide
SMILESCC(=O)NCCCc1nc2ccccc2n1CCOc1ccc(C(C)C)cc1
InChIInChI=1S/C23H29N3O2/c1-17(2)19-10-12-20(13-11-19)28-16-15-26-22-8-5-4-7-21(22)25-23(26)9-6-14-24-18(3)27/h4-5,7-8,10-13,17H,6,9,14-16H2,1-3H3,(H,24,27)
InChIKeyWIKFLVBUGUVSTQ-UHFFFAOYSA-N
XLogP4.31
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.31
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-[3-[1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]prop-2-enamide
CID 16986766
2-(4-chlorophenoxy)-N-[3-[1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]acetamide
CID 16986442
2-chloro-N-[3-[1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16982734
N-[3-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide
CID 16982304
N-[3-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]butanamide
CID 16981220
3-methyl-N-[3-[1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16983204
3-bromo-N-[3-[1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16983366
4-methyl-N-[3-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide
CID 16984372
2-fluoro-N-[3-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide
CID 16983106
2-(4-methoxyphenyl)-N-[3-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]acetamide
CID 16985631
N-[3-[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]-2-ethylbutanamide
CID 16981018
(E)-N-[5-[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]but-2-enamide
CID 16992118

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]acetamide?
The IUPAC name of N-[3-[1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]acetamide (CID 16980575) is N-[3-[1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]acetamide.
What is the SMILES notation for N-[3-[1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]acetamide?
The canonical SMILES for N-[3-[1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]acetamide is CC(=O)NCCCc1nc2ccccc2n1CCOc1ccc(C(C)C)cc1.
What is the InChIKey of N-[3-[1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]acetamide?
The InChIKey is WIKFLVBUGUVSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-17(2)19-10-12-20(13-11-19)28-16-15-26-22-8-5-4-7-21(22)25-23(26)9-6-14-24-18(3)27/h4-5,7-8,10-13,17H,6,9,14-16H2,1-3H3,(H,24,27).
What are the key properties of N-[3-[1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]acetamide?
N-[3-[1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]acetamide has a molecular weight of 379.50 g/mol, XLogP of 4.31, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]acetamide is sourced from PubChem (CID 16980575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).